2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile

C16H24N4 — CID 102624332

IUPAC2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
SMILESCN(CCNc1ccc(N)c(CC#N)c1)C1CCCC1
InChIInChI=1S/C16H24N4/c1-20(15-4-2-3-5-15)11-10-19-14-6-7-16(18)13(12-14)8-9-17/h6-7,12,15,19H,2-5,8,10-11,18H2,1H3
InChIKeySKNQABTVXGWXRI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile

2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile (PubChem CID 102624332) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
PubChem CID102624332
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
SMILESCN(CCNc1ccc(N)c(CC#N)c1)C1CCCC1
InChIInChI=1S/C16H24N4/c1-20(15-4-2-3-5-15)11-10-19-14-6-7-16(18)13(12-14)8-9-17/h6-7,12,15,19H,2-5,8,10-11,18H2,1H3
InChIKeySKNQABTVXGWXRI-UHFFFAOYSA-N
XLogP2.62
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 63314722
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
CID 63675933
2-[2-amino-5-[cycloheptyl(methyl)amino]phenyl]acetonitrile
CID 102623938
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
CID 102624597
2-[2-amino-5-(3-methylsulfanylpropylamino)phenyl]acetonitrile
CID 102624367
2-[2-amino-5-[2-(4-fluoro-2-methylphenyl)ethylamino]phenyl]acetonitrile
CID 102624530
2-[2-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]phenyl]acetonitrile
CID 106022810
5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile (CID 102624332) is 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile is CN(CCNc1ccc(N)c(CC#N)c1)C1CCCC1.
What is the InChIKey of 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile?
The InChIKey is SKNQABTVXGWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-20(15-4-2-3-5-15)11-10-19-14-6-7-16(18)13(12-14)8-9-17/h6-7,12,15,19H,2-5,8,10-11,18H2,1H3.
What are the key properties of 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile?
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 102624332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).