Chemical ID: 4278207

c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3
Chemical ID:
4278207
Name [?]:
3-(azepan-1-ylmethyl)-1H-indole
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3
InChi [?]:
InChI=1/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,13,16,6,3,12,17,8,10,7,5,4,9,11/E:(1,2)(5,6)(9,10)/rA:17nCCCCCCCCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;s13;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.49544
Area:391.209
Solvation:-1.28478
Coulombic:-17.6369
Bond Count [?]
All:19
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.333
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.07
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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