5-[(2-methylphenyl)methylamino]pentanenitrile

C13H18N2 — CID 60695206

IUPAC5-[(2-methylphenyl)methylamino]pentanenitrile
SMILESCc1ccccc1CNCCCCC#N
InChIInChI=1S/C13H18N2/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,7-8,15H,2,5-6,10-11H2,1H3
InChIKeyORPCLICTVHYXSX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.78
Rot. Bonds6

About 5-[(2-methylphenyl)methylamino]pentanenitrile

5-[(2-methylphenyl)methylamino]pentanenitrile (PubChem CID 60695206) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylamino]pentanenitrile
PubChem CID60695206
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-[(2-methylphenyl)methylamino]pentanenitrile
SMILESCc1ccccc1CNCCCCC#N
InChIInChI=1S/C13H18N2/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,7-8,15H,2,5-6,10-11H2,1H3
InChIKeyORPCLICTVHYXSX-UHFFFAOYSA-N
XLogP2.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.78
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

5-[(2-chlorophenyl)methylamino]pentanenitrile
CID 60688443
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
4-[(2,4-dimethylphenyl)methylamino]butanenitrile
CID 115231662
4-[(2-methyl-5-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231720
5-[(2-hydroxy-5-methylphenyl)methylamino]pentanenitrile
CID 115625650
5-[(2,4-dihydroxyphenyl)methylamino]pentanenitrile
CID 115614389
5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 62056210
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylamino]pentanenitrile?
The IUPAC name of 5-[(2-methylphenyl)methylamino]pentanenitrile (CID 60695206) is 5-[(2-methylphenyl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(2-methylphenyl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(2-methylphenyl)methylamino]pentanenitrile is Cc1ccccc1CNCCCCC#N.
What is the InChIKey of 5-[(2-methylphenyl)methylamino]pentanenitrile?
The InChIKey is ORPCLICTVHYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,7-8,15H,2,5-6,10-11H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methylamino]pentanenitrile?
5-[(2-methylphenyl)methylamino]pentanenitrile has a molecular weight of 202.30 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylamino]pentanenitrile is sourced from PubChem (CID 60695206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).