4-amino-4-cyclopentylbutanenitrile

C9H16N2 — CID 116940090

IUPAC4-amino-4-cyclopentylbutanenitrile
SMILESN#CCCC(N)C1CCCC1
InChIInChI=1S/C9H16N2/c10-7-3-6-9(11)8-4-1-2-5-8/h8-9H,1-6,11H2
InChIKeyQFWISFDLEHINKN-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-4-cyclopentylbutanenitrile

4-amino-4-cyclopentylbutanenitrile (PubChem CID 116940090) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-amino-4-cyclopentylbutanenitrile.

Molecular Properties

Compound Name4-amino-4-cyclopentylbutanenitrile
PubChem CID116940090
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-amino-4-cyclopentylbutanenitrile
SMILESN#CCCC(N)C1CCCC1
InChIInChI=1S/C9H16N2/c10-7-3-6-9(11)8-4-1-2-5-8/h8-9H,1-6,11H2
InChIKeyQFWISFDLEHINKN-UHFFFAOYSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4-amino-4-cyclopentylbutanenitrile?
The IUPAC name of 4-amino-4-cyclopentylbutanenitrile (CID 116940090) is 4-amino-4-cyclopentylbutanenitrile.
What is the SMILES notation for 4-amino-4-cyclopentylbutanenitrile?
The canonical SMILES for 4-amino-4-cyclopentylbutanenitrile is N#CCCC(N)C1CCCC1.
What is the InChIKey of 4-amino-4-cyclopentylbutanenitrile?
The InChIKey is QFWISFDLEHINKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-7-3-6-9(11)8-4-1-2-5-8/h8-9H,1-6,11H2.
What are the key properties of 4-amino-4-cyclopentylbutanenitrile?
4-amino-4-cyclopentylbutanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyclopentylbutanenitrile is sourced from PubChem (CID 116940090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).