4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile

C11H20N2 — CID 81388332

IUPAC4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
SMILESC[C@@H](NCCCC#N)C1CCCC1
InChIInChI=1S/C11H20N2/c1-10(11-6-2-3-7-11)13-9-5-4-8-12/h10-11,13H,2-7,9H2,1H3/t10-/m1/s1
InChIKeyYPYXADKZZOIHBF-SNVBAGLBSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds5

About 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile

4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile (PubChem CID 81388332) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
PubChem CID81388332
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
SMILESC[C@@H](NCCCC#N)C1CCCC1
InChIInChI=1S/C11H20N2/c1-10(11-6-2-3-7-11)13-9-5-4-8-12/h10-11,13H,2-7,9H2,1H3/t10-/m1/s1
InChIKeyYPYXADKZZOIHBF-SNVBAGLBSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
CID 104807377
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile?
The IUPAC name of 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile (CID 81388332) is 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile.
What is the SMILES notation for 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile?
The canonical SMILES for 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile is C[C@@H](NCCCC#N)C1CCCC1.
What is the InChIKey of 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile?
The InChIKey is YPYXADKZZOIHBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(11-6-2-3-7-11)13-9-5-4-8-12/h10-11,13H,2-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile?
4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile is sourced from PubChem (CID 81388332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).