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Chemical ID: 6683625
Chemical ID:
6683625
Name [?]:
1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane
SMILES [?]:
CN1CCCN(CCN(CCCN(CC1)C)C)C
InChi [?]:
InChI=1/C14H32N4/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15/h5-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,18,17,4,11,3,5,12,10,15,14,7,8,2,13,6,9/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)/rA:18cCNCCCNCCNCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s2s14;s13;s9;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H32N4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.40804 |
Area: | 428.575 |
Solvation: | -2.30634 |
Coulombic: | -19.3052 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 256.431 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.13 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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