2-amino-3-(cyclohexen-1-yl)propanenitrile

C9H14N2 — CID 23042608

IUPAC2-amino-3-(cyclohexen-1-yl)propanenitrile
SMILESN#CC(N)CC1=CCCCC1
InChIInChI=1S/C9H14N2/c10-7-9(11)6-8-4-2-1-3-5-8/h4,9H,1-3,5-6,11H2
InChIKeyNKJMVDDKJSUURS-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-3-(cyclohexen-1-yl)propanenitrile

2-amino-3-(cyclohexen-1-yl)propanenitrile (PubChem CID 23042608) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-amino-3-(cyclohexen-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(cyclohexen-1-yl)propanenitrile
PubChem CID23042608
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-amino-3-(cyclohexen-1-yl)propanenitrile
SMILESN#CC(N)CC1=CCCCC1
InChIInChI=1S/C9H14N2/c10-7-9(11)6-8-4-2-1-3-5-8/h4,9H,1-3,5-6,11H2
InChIKeyNKJMVDDKJSUURS-UHFFFAOYSA-N
XLogP1.73
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclohexen-1-yl)propanenitrile?
The IUPAC name of 2-amino-3-(cyclohexen-1-yl)propanenitrile (CID 23042608) is 2-amino-3-(cyclohexen-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-3-(cyclohexen-1-yl)propanenitrile?
The canonical SMILES for 2-amino-3-(cyclohexen-1-yl)propanenitrile is N#CC(N)CC1=CCCCC1.
What is the InChIKey of 2-amino-3-(cyclohexen-1-yl)propanenitrile?
The InChIKey is NKJMVDDKJSUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-7-9(11)6-8-4-2-1-3-5-8/h4,9H,1-3,5-6,11H2.
What are the key properties of 2-amino-3-(cyclohexen-1-yl)propanenitrile?
2-amino-3-(cyclohexen-1-yl)propanenitrile has a molecular weight of 150.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclohexen-1-yl)propanenitrile is sourced from PubChem (CID 23042608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).