2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile

C11H21N3 — CID 63318071

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
SMILESCC(C#N)NCCN(C)C1CCCC1
InChIInChI=1S/C11H21N3/c1-10(9-12)13-7-8-14(2)11-5-3-4-6-11/h10-11,13H,3-8H2,1-2H3
InChIKeyYLGQILQHTNNWPF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds5

About 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile

2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile (PubChem CID 63318071) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
PubChem CID63318071
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
SMILESCC(C#N)NCCN(C)C1CCCC1
InChIInChI=1S/C11H21N3/c1-10(9-12)13-7-8-14(2)11-5-3-4-6-11/h10-11,13H,3-8H2,1-2H3
InChIKeyYLGQILQHTNNWPF-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315824
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N'-cyclopentyl-N'-methyl-N-[1-(1-methylcyclopropyl)ethyl]ethane-1,2-diamine
CID 63314802
N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 55205255
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
4-[cycloheptyl(methyl)amino]-2-(propylamino)butanenitrile
CID 63027524
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile (CID 63318071) is 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile is CC(C#N)NCCN(C)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile?
The InChIKey is YLGQILQHTNNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(9-12)13-7-8-14(2)11-5-3-4-6-11/h10-11,13H,3-8H2,1-2H3.
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile?
2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile is sourced from PubChem (CID 63318071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).