2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile

C16H23N3 — CID 83110072

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCC2(N(C)C)CCCC2)c1
InChIInChI=1S/C16H23N3/c1-13-6-7-14(11-17)15(10-13)18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,12H2,1-3H3
InChIKeyCMZGHKIOCULSHZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds4

About 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile

2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile (PubChem CID 83110072) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile
PubChem CID83110072
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCC2(N(C)C)CCCC2)c1
InChIInChI=1S/C16H23N3/c1-13-6-7-14(11-17)15(10-13)18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,12H2,1-3H3
InChIKeyCMZGHKIOCULSHZ-UHFFFAOYSA-N
XLogP3.15
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
CID 83111910
4-methyl-2-(prop-2-ynylamino)benzonitrile
CID 62307299
2-[(1-hydroxycyclopentyl)methylamino]-5-methylbenzonitrile
CID 107931300
2-[(1-hydroxycycloheptyl)methylamino]-5-methylbenzonitrile
CID 107931306
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-nitroaniline
CID 105419043
2-(2-cyano-5-methylanilino)-N,N-dimethylethanesulfonamide
CID 106338578
2-(cyclohexylmethylamino)-4-methylbenzonitrile
CID 62308973
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
CID 62641602
2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid
CID 64701166
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5-methylbenzonitrile
CID 107927763
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
CID 103461763
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile (CID 83110072) is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile is Cc1ccc(C#N)c(NCC2(N(C)C)CCCC2)c1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile?
The InChIKey is CMZGHKIOCULSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-6-7-14(11-17)15(10-13)18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,12H2,1-3H3.
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile?
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 83110072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).