2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile

C12H14ClN3 — CID 63252046

IUPAC2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NC1CCCC1N
InChIInChI=1S/C12H14ClN3/c13-9-3-1-5-11(8(9)7-14)16-12-6-2-4-10(12)15/h1,3,5,10,12,16H,2,4,6,15H2
InChIKeyKBVSMKMKKQGSMT-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.50
Rot. Bonds2

About 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile

2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile (PubChem CID 63252046) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
PubChem CID63252046
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NC1CCCC1N
InChIInChI=1S/C12H14ClN3/c13-9-3-1-5-11(8(9)7-14)16-12-6-2-4-10(12)15/h1,3,5,10,12,16H,2,4,6,15H2
InChIKeyKBVSMKMKKQGSMT-UHFFFAOYSA-N
XLogP2.50
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile?
The IUPAC name of 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile (CID 63252046) is 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile.
What is the SMILES notation for 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile?
The canonical SMILES for 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile is N#Cc1c(Cl)cccc1NC1CCCC1N.
What is the InChIKey of 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile?
The InChIKey is KBVSMKMKKQGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-9-3-1-5-11(8(9)7-14)16-12-6-2-4-10(12)15/h1,3,5,10,12,16H,2,4,6,15H2.
What are the key properties of 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile?
2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile has a molecular weight of 235.72 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile is sourced from PubChem (CID 63252046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).