Chemical ID: 4123514

c1cc(ccc1CN2CCCCCC2)N
Chemical ID:
4123514
Name [?]:
4-(azepan-1-ylmethyl)aniline
SMILES [?]:
c1cc(ccc1CN2CCCCCC2)N
InChi [?]:
InChI=1/C13H20N2/c14-13-7-5-12(6-8-13)11-15-9-3-1-2-4-10-15/h5-8H,1-4,9-11,14H2
InChi Info:
AuxInfo=1/0/N:11,12,10,13,1,5,2,4,9,14,7,6,3,15,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s8s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.19388
Area:374.618
Solvation:-1.17157
Coulombic:-23.0641
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.311
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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