3-[(2-methylcyclopentyl)methylamino]propanenitrile

C10H18N2 — CID 107418190

IUPAC3-[(2-methylcyclopentyl)methylamino]propanenitrile
SMILESCC1CCCC1CNCCC#N
InChIInChI=1S/C10H18N2/c1-9-4-2-5-10(9)8-12-7-3-6-11/h9-10,12H,2-5,7-8H2,1H3
InChIKeyBSJHSVFYQCDTQE-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds4

About 3-[(2-methylcyclopentyl)methylamino]propanenitrile

3-[(2-methylcyclopentyl)methylamino]propanenitrile (PubChem CID 107418190) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylamino]propanenitrile
PubChem CID107418190
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[(2-methylcyclopentyl)methylamino]propanenitrile
SMILESCC1CCCC1CNCCC#N
InChIInChI=1S/C10H18N2/c1-9-4-2-5-10(9)8-12-7-3-6-11/h9-10,12H,2-5,7-8H2,1H3
InChIKeyBSJHSVFYQCDTQE-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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

2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile
CID 65254531
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219
N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
CID 107417872
2-[(2-methylcyclopentyl)methylamino]butanenitrile
CID 107418090
3-[(3-hydroxycyclopentyl)methylamino]propanenitrile
CID 106129878
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate
CID 107419495
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
3-[2-cyanoethyl-[[(1S,2S)-2-methylcyclohexyl]methyl]amino]propanenitrile
CID 99697181

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylamino]propanenitrile?
The IUPAC name of 3-[(2-methylcyclopentyl)methylamino]propanenitrile (CID 107418190) is 3-[(2-methylcyclopentyl)methylamino]propanenitrile.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylamino]propanenitrile?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylamino]propanenitrile is CC1CCCC1CNCCC#N.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylamino]propanenitrile?
The InChIKey is BSJHSVFYQCDTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-4-2-5-10(9)8-12-7-3-6-11/h9-10,12H,2-5,7-8H2,1H3.
What are the key properties of 3-[(2-methylcyclopentyl)methylamino]propanenitrile?
3-[(2-methylcyclopentyl)methylamino]propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methylamino]propanenitrile is sourced from PubChem (CID 107418190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).