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Chemical ID: 4831450
Chemical ID:
4831450
Name [?]:
N-cyclododecylethane-1,2-diamine
SMILES [?]:
C1CCCCCC(CCCCC1)NCCN
InChi [?]:
InChI=1/C14H30N2/c15-12-13-16-14-10-8-6-4-2-1-3-5-7-9-11-14/h14,16H,1-13,15H2
InChi Info:
AuxInfo=1/0/N:1,2,12,3,11,4,10,5,9,6,8,15,14,7,16,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:16nCCCCCCCCCCCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s1s11;s7;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H30N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80958 |
Area: | 428.78 |
Solvation: | -0.90991 |
Coulombic: | -23.7413 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.401 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 4.29 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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