2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride

C9H17ClN2 — CID 57495604

IUPAC2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride
SMILESCC(C)CC(C#N)NC1CC1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-7(2)5-9(6-10)11-8-3-4-8;/h7-9,11H,3-5H2,1-2H3;1H
InChIKeyGFJKNAOZYGCKDX-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.10
Rot. Bonds4

About 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride

2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride (PubChem CID 57495604) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride
PubChem CID57495604
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride
SMILESCC(C)CC(C#N)NC1CC1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-7(2)5-9(6-10)11-8-3-4-8;/h7-9,11H,3-5H2,1-2H3;1H
InChIKeyGFJKNAOZYGCKDX-UHFFFAOYSA-N
XLogP2.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.10
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;hydrochloride?
The IUPAC name of 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride (CID 57495604) is 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride.
What is the SMILES notation for 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride?
The canonical SMILES for 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride is CC(C)CC(C#N)NC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride?
The InChIKey is GFJKNAOZYGCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-7(2)5-9(6-10)11-8-3-4-8;/h7-9,11H,3-5H2,1-2H3;1H.
What are the key properties of 2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride?
2-(cyclopropylamino)-4-methylpentanenitrile;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 2.10, 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;hydrochloride is sourced from PubChem (CID 57495604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).