1-(propylaminomethyl)cyclopentane-1-carbonitrile

C10H18N2 — CID 166556871

IUPAC1-(propylaminomethyl)cyclopentane-1-carbonitrile
SMILESCCCNCC1(C#N)CCCC1
InChIInChI=1S/C10H18N2/c1-2-7-12-9-10(8-11)5-3-4-6-10/h12H,2-7,9H2,1H3
InChIKeyYOOBLGFKAAEIGV-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds4

About 1-(propylaminomethyl)cyclopentane-1-carbonitrile

1-(propylaminomethyl)cyclopentane-1-carbonitrile (PubChem CID 166556871) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(propylaminomethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylaminomethyl)cyclopentane-1-carbonitrile
PubChem CID166556871
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(propylaminomethyl)cyclopentane-1-carbonitrile
SMILESCCCNCC1(C#N)CCCC1
InChIInChI=1S/C10H18N2/c1-2-7-12-9-10(8-11)5-3-4-6-10/h12H,2-7,9H2,1H3
InChIKeyYOOBLGFKAAEIGV-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
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

1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carbonitrile
CID 115242448
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242451
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
CID 126983354
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245457
1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
CID 164656544
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245250
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
N-[[1-(trimethylsilylmethyl)cyclopentyl]methyl]propan-1-amine
CID 106323454

Frequently Asked Questions

What is the IUPAC name of 1-(propylaminomethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propylaminomethyl)cyclopentane-1-carbonitrile (CID 166556871) is 1-(propylaminomethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propylaminomethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propylaminomethyl)cyclopentane-1-carbonitrile is CCCNCC1(C#N)CCCC1.
What is the InChIKey of 1-(propylaminomethyl)cyclopentane-1-carbonitrile?
The InChIKey is YOOBLGFKAAEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-7-12-9-10(8-11)5-3-4-6-10/h12H,2-7,9H2,1H3.
What are the key properties of 1-(propylaminomethyl)cyclopentane-1-carbonitrile?
1-(propylaminomethyl)cyclopentane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylaminomethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 166556871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).