5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile

C17H24N2O — CID 65341300

IUPAC5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCC1CCC(NCc2ccc(OC)c(C#N)c2)C1C
InChIInChI=1S/C17H24N2O/c1-4-14-6-7-16(12(14)2)19-11-13-5-8-17(20-3)15(9-13)10-18/h5,8-9,12,14,16,19H,4,6-7,11H2,1-3H3
InChIKeySLPUMSMQFFRXEX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.48
Rot. Bonds5

About 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile

5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65341300) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65341300
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCC1CCC(NCc2ccc(OC)c(C#N)c2)C1C
InChIInChI=1S/C17H24N2O/c1-4-14-6-7-16(12(14)2)19-11-13-5-8-17(20-3)15(9-13)10-18/h5,8-9,12,14,16,19H,4,6-7,11H2,1-3H3
InChIKeySLPUMSMQFFRXEX-UHFFFAOYSA-N
XLogP3.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
3-ethyl-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 64922906
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile (CID 65341300) is 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile is CCC1CCC(NCc2ccc(OC)c(C#N)c2)C1C.
What is the InChIKey of 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is SLPUMSMQFFRXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-14-6-7-16(12(14)2)19-11-13-5-8-17(20-3)15(9-13)10-18/h5,8-9,12,14,16,19H,4,6-7,11H2,1-3H3.
What are the key properties of 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile?
5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65341300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).