3-(3-aminocyclohexyl)propanenitrile

C9H16N2 — CID 138595443

IUPAC3-(3-aminocyclohexyl)propanenitrile
SMILESN#CCCC1CCCC(N)C1
InChIInChI=1S/C9H16N2/c10-6-2-4-8-3-1-5-9(11)7-8/h8-9H,1-5,7,11H2
InChIKeyKTEMLEALJAXNDV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds2

About 3-(3-aminocyclohexyl)propanenitrile

3-(3-aminocyclohexyl)propanenitrile (PubChem CID 138595443) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)propanenitrile.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)propanenitrile
PubChem CID138595443
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(3-aminocyclohexyl)propanenitrile
SMILESN#CCCC1CCCC(N)C1
InChIInChI=1S/C9H16N2/c10-6-2-4-8-3-1-5-9(11)7-8/h8-9H,1-5,7,11H2
InChIKeyKTEMLEALJAXNDV-UHFFFAOYSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-(3-aminocyclohexyl)propanenitrile?
The IUPAC name of 3-(3-aminocyclohexyl)propanenitrile (CID 138595443) is 3-(3-aminocyclohexyl)propanenitrile.
What is the SMILES notation for 3-(3-aminocyclohexyl)propanenitrile?
The canonical SMILES for 3-(3-aminocyclohexyl)propanenitrile is N#CCCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)propanenitrile?
The InChIKey is KTEMLEALJAXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-6-2-4-8-3-1-5-9(11)7-8/h8-9H,1-5,7,11H2.
What are the key properties of 3-(3-aminocyclohexyl)propanenitrile?
3-(3-aminocyclohexyl)propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)propanenitrile is sourced from PubChem (CID 138595443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).