2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile

C17H25N3 — CID 116692337

IUPAC2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
SMILESCN(CCC(N)(C#N)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25N3/c1-20(16-10-6-3-7-11-16)13-12-17(19,14-18)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13,19H2,1H3
InChIKeyDMFHKOLOBPGOMU-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.02
Rot. Bonds5

About 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile

2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile (PubChem CID 116692337) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
PubChem CID116692337
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
SMILESCN(CCC(N)(C#N)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25N3/c1-20(16-10-6-3-7-11-16)13-12-17(19,14-18)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13,19H2,1H3
InChIKeyDMFHKOLOBPGOMU-UHFFFAOYSA-N
XLogP3.02
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
CID 116692620
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
2-amino-4-(cyclopentylmethylsulfanyl)-2-phenylbutanenitrile
CID 116693340
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
CID 114157788
2-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692648
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62489695

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile (CID 116692337) is 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile is CN(CCC(N)(C#N)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile?
The InChIKey is DMFHKOLOBPGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-20(16-10-6-3-7-11-16)13-12-17(19,14-18)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13,19H2,1H3.
What are the key properties of 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile?
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile has a molecular weight of 271.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).