2-(1-aminocyclohexyl)propanenitrile

C9H16N2 — CID 21418003

IUPAC2-(1-aminocyclohexyl)propanenitrile
SMILESCC(C#N)C1(N)CCCCC1
InChIInChI=1S/C9H16N2/c1-8(7-10)9(11)5-3-2-4-6-9/h8H,2-6,11H2,1H3
InChIKeyAEVRESVMZHRVIQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds1

About 2-(1-aminocyclohexyl)propanenitrile

2-(1-aminocyclohexyl)propanenitrile (PubChem CID 21418003) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)propanenitrile.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)propanenitrile
PubChem CID21418003
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(1-aminocyclohexyl)propanenitrile
SMILESCC(C#N)C1(N)CCCCC1
InChIInChI=1S/C9H16N2/c1-8(7-10)9(11)5-3-2-4-6-9/h8H,2-6,11H2,1H3
InChIKeyAEVRESVMZHRVIQ-UHFFFAOYSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)propanenitrile?
The IUPAC name of 2-(1-aminocyclohexyl)propanenitrile (CID 21418003) is 2-(1-aminocyclohexyl)propanenitrile.
What is the SMILES notation for 2-(1-aminocyclohexyl)propanenitrile?
The canonical SMILES for 2-(1-aminocyclohexyl)propanenitrile is CC(C#N)C1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)propanenitrile?
The InChIKey is AEVRESVMZHRVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(7-10)9(11)5-3-2-4-6-9/h8H,2-6,11H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)propanenitrile?
2-(1-aminocyclohexyl)propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)propanenitrile is sourced from PubChem (CID 21418003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).