2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile

C16H29N3 — CID 63622116

IUPAC2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
SMILESCC1CCCN(CCCC(C)(C#N)NC2CC2)CC1
InChIInChI=1S/C16H29N3/c1-14-5-3-10-19(12-8-14)11-4-9-16(2,13-17)18-15-6-7-15/h14-15,18H,3-12H2,1-2H3
InChIKeyUCZKPTCAGLOFQP-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile

2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile (PubChem CID 63622116) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
PubChem CID63622116
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
SMILESCC1CCCN(CCCC(C)(C#N)NC2CC2)CC1
InChIInChI=1S/C16H29N3/c1-14-5-3-10-19(12-8-14)11-4-9-16(2,13-17)18-15-6-7-15/h14-15,18H,3-12H2,1-2H3
InChIKeyUCZKPTCAGLOFQP-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 63623601
2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
CID 103537857
2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
CID 62332365
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
CID 103537820
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245
2-(cyclopropylamino)-2-methyl-5-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pentanenitrile
CID 103198049
2-(cyclopropylamino)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpentanenitrile
CID 63026125
2-(cyclopropylamino)-2-methyl-4-(4-methylsulfonylpiperazin-1-yl)butanenitrile
CID 62992780
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63150692
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
CID 106708126
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile (CID 63622116) is 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile is CC1CCCN(CCCC(C)(C#N)NC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile?
The InChIKey is UCZKPTCAGLOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-14-5-3-10-19(12-8-14)11-4-9-16(2,13-17)18-15-6-7-15/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile?
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile is sourced from PubChem (CID 63622116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).