2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile

C17H25N3 — CID 102624577

IUPAC2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
SMILESCC(C)C1CCCCC1Nc1ccc(N)c(CC#N)c1
InChIInChI=1S/C17H25N3/c1-12(2)15-5-3-4-6-17(15)20-14-7-8-16(19)13(11-14)9-10-18/h7-8,11-12,15,17,20H,3-6,9,19H2,1-2H3
InChIKeyNFRNUPWPYADWHQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.96
Rot. Bonds4

About 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile

2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile (PubChem CID 102624577) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
PubChem CID102624577
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
SMILESCC(C)C1CCCCC1Nc1ccc(N)c(CC#N)c1
InChIInChI=1S/C17H25N3/c1-12(2)15-5-3-4-6-17(15)20-14-7-8-16(19)13(11-14)9-10-18/h7-8,11-12,15,17,20H,3-6,9,19H2,1-2H3
InChIKeyNFRNUPWPYADWHQ-UHFFFAOYSA-N
XLogP3.96
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240
2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile
CID 106359179
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
2-[2-amino-5-[(2,2-dimethylcyclopropyl)amino]phenyl]acetonitrile
CID 102624187
2-[2-amino-5-[(3-ethylcyclohexyl)amino]phenyl]acetonitrile
CID 102624414
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
4-amino-3-[(2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 104712194
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-(2-pyrrolidin-1-ylpropylamino)phenyl]acetonitrile
CID 102624557
2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 104500830
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
CID 102624597
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile (CID 102624577) is 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile is CC(C)C1CCCCC1Nc1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile?
The InChIKey is NFRNUPWPYADWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)15-5-3-4-6-17(15)20-14-7-8-16(19)13(11-14)9-10-18/h7-8,11-12,15,17,20H,3-6,9,19H2,1-2H3.
What are the key properties of 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile?
2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile has a molecular weight of 271.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 102624577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).