1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile

C15H20N2O2 — CID 28702708

IUPAC1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CNC2(C#N)CCCC2)cc1OC
InChIInChI=1S/C15H20N2O2/c1-18-13-6-5-12(9-14(13)19-2)10-17-15(11-16)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyLYTCAOPJHUHRPE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.63
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile

1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 28702708) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID28702708
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CNC2(C#N)CCCC2)cc1OC
InChIInChI=1S/C15H20N2O2/c1-18-13-6-5-12(9-14(13)19-2)10-17-15(11-16)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyLYTCAOPJHUHRPE-UHFFFAOYSA-N
XLogP2.63
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702687
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376
N-(1-cyanocyclohexyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 18078815
1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 28702701
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopentan-1-amine
CID 61365354
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile (CID 28702708) is 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile is COc1ccc(CNC2(C#N)CCCC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is LYTCAOPJHUHRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-13-6-5-12(9-14(13)19-2)10-17-15(11-16)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 28702708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).