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Chemical ID: 7100315
Chemical ID:
7100315
Name [?]:
1-(pyrrolidin-2-ylmethyl)azepane
SMILES [?]:
C1CCCN(CC1)CC2CCCN2
InChi [?]:
InChI=1/C11H22N2/c1-2-4-9-13(8-3-1)10-11-6-5-7-12-11/h11-12H,1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,7,3,11,10,12,6,4,8,9,13,5/E:(1,2)(3,4)(8,9)/rA:13cCCCCNCCCCCCCN/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2 |
All Atoms: | 35 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.40433 |
Area: | 352.057 |
Solvation: | -1.3971 |
Coulombic: | -13.4436 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 182.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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