3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

C14H25N3 — CID 63913080

IUPAC3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCCC(C)N(C)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C14H25N3/c1-4-11(2)17(3)10-14(9-15,12-5-6-12)16-13-7-8-13/h11-13,16H,4-8,10H2,1-3H3
InChIKeyNREBIKMVFQBRHL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds7

About 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (PubChem CID 63913080) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
PubChem CID63913080
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCCC(C)N(C)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C14H25N3/c1-4-11(2)17(3)10-14(9-15,12-5-6-12)16-13-7-8-13/h11-13,16H,4-8,10H2,1-3H3
InChIKeyNREBIKMVFQBRHL-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile 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 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (CID 63913080) is 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is CCC(C)N(C)CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The InChIKey is NREBIKMVFQBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-11(2)17(3)10-14(9-15,12-5-6-12)16-13-7-8-13/h11-13,16H,4-8,10H2,1-3H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 63913080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).