2-(cyclopentylamino)benzonitrile

C12H14N2 — CID 10535560

IUPAC2-(cyclopentylamino)benzonitrile
SMILESN#Cc1ccccc1NC1CCCC1
InChIInChI=1S/C12H14N2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7H2
InChIKeyHQNZERYGSHXNGF-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.91
Rot. Bonds2

About 2-(cyclopentylamino)benzonitrile

2-(cyclopentylamino)benzonitrile (PubChem CID 10535560) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(cyclopentylamino)benzonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)benzonitrile
PubChem CID10535560
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(cyclopentylamino)benzonitrile
SMILESN#Cc1ccccc1NC1CCCC1
InChIInChI=1S/C12H14N2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7H2
InChIKeyHQNZERYGSHXNGF-UHFFFAOYSA-N
XLogP2.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
CID 117027563
2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 43762433
2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile
CID 106658043
4-(cycloheptylamino)-2,3-difluorobenzonitrile
CID 114017647
2-(cyclohexylamino)-5-methylsulfanylbenzonitrile
CID 142534987
2-[2-(cyclopentylamino)phenoxy]acetonitrile
CID 82932126
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358
2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile
CID 104716184
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)benzonitrile?
The IUPAC name of 2-(cyclopentylamino)benzonitrile (CID 10535560) is 2-(cyclopentylamino)benzonitrile.
What is the SMILES notation for 2-(cyclopentylamino)benzonitrile?
The canonical SMILES for 2-(cyclopentylamino)benzonitrile is N#Cc1ccccc1NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)benzonitrile?
The InChIKey is HQNZERYGSHXNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7H2.
What are the key properties of 2-(cyclopentylamino)benzonitrile?
2-(cyclopentylamino)benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)benzonitrile is sourced from PubChem (CID 10535560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).