2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile

C11H17N3 — CID 175601002

IUPAC2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile
SMILESCC1CCCC1NCCC(C#N)C#N
InChIInChI=1S/C11H17N3/c1-9-3-2-4-11(9)14-6-5-10(7-12)8-13/h9-11,14H,2-6H2,1H3
InChIKeyKXKJQHRKQMWSMP-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.82
Rot. Bonds4

About 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile

2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile (PubChem CID 175601002) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile
PubChem CID175601002
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile
SMILESCC1CCCC1NCCC(C#N)C#N
InChIInChI=1S/C11H17N3/c1-9-3-2-4-11(9)14-6-5-10(7-12)8-13/h9-11,14H,2-6H2,1H3
InChIKeyKXKJQHRKQMWSMP-UHFFFAOYSA-N
XLogP1.82
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile
CID 175601005
2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
CID 175600999
2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
CID 172761709
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
2-methyl-N-pent-3-ynylcyclopentan-1-amine
CID 104806874
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
2-methyl-5-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 103859481
N-(2-methylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 65046367
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile?
The IUPAC name of 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile (CID 175601002) is 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile.
What is the SMILES notation for 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile?
The canonical SMILES for 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile is CC1CCCC1NCCC(C#N)C#N.
What is the InChIKey of 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile?
The InChIKey is KXKJQHRKQMWSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-3-2-4-11(9)14-6-5-10(7-12)8-13/h9-11,14H,2-6H2,1H3.
What are the key properties of 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile?
2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile has a molecular weight of 191.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile is sourced from PubChem (CID 175601002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).