3-(3-cyclopentylpropylamino)pentanenitrile

C13H24N2 — CID 106010678

IUPAC3-(3-cyclopentylpropylamino)pentanenitrile
SMILESCCC(CC#N)NCCCC1CCCC1
InChIInChI=1S/C13H24N2/c1-2-13(9-10-14)15-11-5-8-12-6-3-4-7-12/h12-13,15H,2-9,11H2,1H3
InChIKeyLIFOCXAIUHNUJJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds7

About 3-(3-cyclopentylpropylamino)pentanenitrile

3-(3-cyclopentylpropylamino)pentanenitrile (PubChem CID 106010678) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(3-cyclopentylpropylamino)pentanenitrile.

Molecular Properties

Compound Name3-(3-cyclopentylpropylamino)pentanenitrile
PubChem CID106010678
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(3-cyclopentylpropylamino)pentanenitrile
SMILESCCC(CC#N)NCCCC1CCCC1
InChIInChI=1S/C13H24N2/c1-2-13(9-10-14)15-11-5-8-12-6-3-4-7-12/h12-13,15H,2-9,11H2,1H3
InChIKeyLIFOCXAIUHNUJJ-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
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

N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine
CID 114136708
3-[3-(dimethylamino)propylamino]pentanenitrile
CID 43368688
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
3-(7-methyloctylamino)pentanenitrile
CID 107815048
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
3-(2-methoxyethylamino)pentanenitrile
CID 43367995
3-(4-propan-2-yloxybutylamino)pentanenitrile
CID 106010161
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
3-[(2-tert-butylcyclohexyl)amino]pentanenitrile
CID 62646565
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
CID 115709393

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropylamino)pentanenitrile?
The IUPAC name of 3-(3-cyclopentylpropylamino)pentanenitrile (CID 106010678) is 3-(3-cyclopentylpropylamino)pentanenitrile.
What is the SMILES notation for 3-(3-cyclopentylpropylamino)pentanenitrile?
The canonical SMILES for 3-(3-cyclopentylpropylamino)pentanenitrile is CCC(CC#N)NCCCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropylamino)pentanenitrile?
The InChIKey is LIFOCXAIUHNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-13(9-10-14)15-11-5-8-12-6-3-4-7-12/h12-13,15H,2-9,11H2,1H3.
What are the key properties of 3-(3-cyclopentylpropylamino)pentanenitrile?
3-(3-cyclopentylpropylamino)pentanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropylamino)pentanenitrile is sourced from PubChem (CID 106010678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).