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

C16H23N3O — CID 83111910

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCC2(N(C)C)CCCC2)c1
InChIInChI=1S/C16H23N3O/c1-19(2)16(8-4-5-9-16)12-18-15-10-14(20-3)7-6-13(15)11-17/h6-7,10,18H,4-5,8-9,12H2,1-3H3
InChIKeyPZOPTZXSYOAUIP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds5

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

2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile (PubChem CID 83111910) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
PubChem CID83111910
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCC2(N(C)C)CCCC2)c1
InChIInChI=1S/C16H23N3O/c1-19(2)16(8-4-5-9-16)12-18-15-10-14(20-3)7-6-13(15)11-17/h6-7,10,18H,4-5,8-9,12H2,1-3H3
InChIKeyPZOPTZXSYOAUIP-UHFFFAOYSA-N
XLogP2.85
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile
CID 83110072
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile
CID 81306794
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxybenzonitrile
CID 81300058
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360
4-methoxy-2-(5-methoxypentylamino)benzonitrile
CID 114130567

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile (CID 83111910) is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile is COc1ccc(C#N)c(NCC2(N(C)C)CCCC2)c1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile?
The InChIKey is PZOPTZXSYOAUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19(2)16(8-4-5-9-16)12-18-15-10-14(20-3)7-6-13(15)11-17/h6-7,10,18H,4-5,8-9,12H2,1-3H3.
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile?
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile is sourced from PubChem (CID 83111910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).