Chemical ID: 4246873

c1cc(c(cc1C(=O)N2CCCC2)N)N3CCCC3
Chemical ID:
4246873
Name [?]:
(3-amino-4-pyrrolidin-1-yl-phenyl)-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc(c(cc1C(=O)N2CCCC2)N)N3CCCC3
InChi [?]:
InChI=1/C15H21N3O/c16-13-11-12(15(19)18-9-3-4-10-18)5-6-14(13)17-7-1-2-8-17/h5-6,11H,1-4,7-10,16H2
InChi Info:
AuxInfo=1/0/N:17,18,11,12,1,2,16,19,10,13,5,6,4,3,7,14,15,9,8/E:(1,2)(3,4)(7,8)(9,10)/rA:19nCCCCCCCONCCCCNNCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s4;s3;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.67537
Area:445.821
Solvation:-2.47016
Coulombic:-39.766
Bond Count [?]
All:21
Single:17
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:259.347
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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