4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile

C13H17N3 — CID 63889602

IUPAC4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile
SMILESN#Cc1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C13H17N3/c14-9-11-3-5-12(6-4-11)16-13(10-15)7-1-2-8-13/h3-6,16H,1-2,7-8,10,15H2
InChIKeyBFBBTIQJBWMOCU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds3

About 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile

4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile (PubChem CID 63889602) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile
PubChem CID63889602
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile
SMILESN#Cc1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C13H17N3/c14-9-11-3-5-12(6-4-11)16-13(10-15)7-1-2-8-13/h3-6,16H,1-2,7-8,10,15H2
InChIKeyBFBBTIQJBWMOCU-UHFFFAOYSA-N
XLogP2.24
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
N-[1-(aminomethyl)cyclopentyl]pyridin-4-amine
CID 63761781
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
CID 79521267
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
CID 63761192
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine
CID 105480875
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile (CID 63889602) is 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile is N#Cc1ccc(NC2(CN)CCCC2)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile?
The InChIKey is BFBBTIQJBWMOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-9-11-3-5-12(6-4-11)16-13(10-15)7-1-2-8-13/h3-6,16H,1-2,7-8,10,15H2.
What are the key properties of 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile?
4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile is sourced from PubChem (CID 63889602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).