2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C16H31N3O — CID 79565477

IUPAC2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN(CC)CCOC
InChIInChI=1S/C16H31N3O/c1-4-10-18-16(14-17)9-6-7-15(16)8-11-19(5-2)12-13-20-3/h15,18H,4-13H2,1-3H3
InChIKeyJWEPFAYGYVXSLJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.41
Rot. Bonds10

About 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79565477) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79565477
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN(CC)CCOC
InChIInChI=1S/C16H31N3O/c1-4-10-18-16(14-17)9-6-7-15(16)8-11-19(5-2)12-13-20-3/h15,18H,4-13H2,1-3H3
InChIKeyJWEPFAYGYVXSLJ-UHFFFAOYSA-N
XLogP2.41
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79565480
2-[2-[3-(dimethylamino)propyl-ethylamino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 102996420
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001
1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
CID 79577245
2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578008
methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619
2-[2-(4-methylphenoxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576518
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 107755012
[1-(cyclopropylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentyl]methanol
CID 79571314
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79565477) is 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCN(CC)CCOC.
What is the InChIKey of 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is JWEPFAYGYVXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-10-18-16(14-17)9-6-7-15(16)8-11-19(5-2)12-13-20-3/h15,18H,4-13H2,1-3H3.
What are the key properties of 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 281.44 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).