5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile

C16H29N3 — CID 63631836

IUPAC5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCN(CCCC(C)(C#N)NC1CC1)CC1CCCC1
InChIInChI=1S/C16H29N3/c1-16(13-17,18-15-8-9-15)10-5-11-19(2)12-14-6-3-4-7-14/h14-15,18H,3-12H2,1-2H3
InChIKeyNZFPZNUWDTYYIP-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds8

About 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile

5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile (PubChem CID 63631836) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
PubChem CID63631836
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCN(CCCC(C)(C#N)NC1CC1)CC1CCCC1
InChIInChI=1S/C16H29N3/c1-16(13-17,18-15-8-9-15)10-5-11-19(2)12-14-6-3-4-7-14/h14-15,18H,3-12H2,1-2H3
InChIKeyNZFPZNUWDTYYIP-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
The IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile (CID 63631836) is 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile is CN(CCCC(C)(C#N)NC1CC1)CC1CCCC1.
What is the InChIKey of 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
The InChIKey is NZFPZNUWDTYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(13-17,18-15-8-9-15)10-5-11-19(2)12-14-6-3-4-7-14/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile is sourced from PubChem (CID 63631836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).