2-(cyclopropylamino)-4-methylpentanenitrile

C9H16N2 — CID 43151716

IUPAC2-(cyclopropylamino)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)NC1CC1
InChIInChI=1S/C9H16N2/c1-7(2)5-9(6-10)11-8-3-4-8/h7-9,11H,3-5H2,1-2H3
InChIKeySAOOFFXQEMBTFH-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds4

About 2-(cyclopropylamino)-4-methylpentanenitrile

2-(cyclopropylamino)-4-methylpentanenitrile (PubChem CID 43151716) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-methylpentanenitrile
PubChem CID43151716
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(cyclopropylamino)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)NC1CC1
InChIInChI=1S/C9H16N2/c1-7(2)5-9(6-10)11-8-3-4-8/h7-9,11H,3-5H2,1-2H3
InChIKeySAOOFFXQEMBTFH-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-methylpentanenitrile (CID 43151716) is 2-(cyclopropylamino)-4-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-methylpentanenitrile is CC(C)CC(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-methylpentanenitrile?
The InChIKey is SAOOFFXQEMBTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)5-9(6-10)11-8-3-4-8/h7-9,11H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-methylpentanenitrile?
2-(cyclopropylamino)-4-methylpentanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-methylpentanenitrile is sourced from PubChem (CID 43151716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).