2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

C15H31N3 — CID 64726084

IUPAC2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCCC(C)N(C)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C15H31N3/c1-8-9-13(4)18(7)14(5)10-15(6,11-16)17-12(2)3/h12-14,17H,8-10H2,1-7H3
InChIKeyWJLFDOAADVREDN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.17
Rot. Bonds8

About 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64726084) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
PubChem CID64726084
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCCC(C)N(C)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C15H31N3/c1-8-9-13(4)18(7)14(5)10-15(6,11-16)17-12(2)3/h12-14,17H,8-10H2,1-7H3
InChIKeyWJLFDOAADVREDN-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile 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 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (CID 64726084) is 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is CCCC(C)N(C)C(C)CC(C)(C#N)NC(C)C.
What is the InChIKey of 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is WJLFDOAADVREDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-8-9-13(4)18(7)14(5)10-15(6,11-16)17-12(2)3/h12-14,17H,8-10H2,1-7H3.
What are the key properties of 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 253.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64726084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).