1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile

C15H27N3 — CID 83221508

IUPAC1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C)N1CCC1CCCC1(N)C#N
InChIInChI=1S/C15H27N3/c1-3-14-7-6-12(2)18(14)10-8-13-5-4-9-15(13,17)11-16/h12-14H,3-10,17H2,1-2H3
InChIKeyWLMMSJAGAJVNIW-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.66
Rot. Bonds4

About 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 83221508) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID83221508
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C)N1CCC1CCCC1(N)C#N
InChIInChI=1S/C15H27N3/c1-3-14-7-6-12(2)18(14)10-8-13-5-4-9-15(13,17)11-16/h12-14H,3-10,17H2,1-2H3
InChIKeyWLMMSJAGAJVNIW-UHFFFAOYSA-N
XLogP2.66
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile
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1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
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2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
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1-amino-2-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carbonitrile
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1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile (CID 83221508) is 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile is CCC1CCC(C)N1CCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is WLMMSJAGAJVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-14-7-6-12(2)18(14)10-8-13-5-4-9-15(13,17)11-16/h12-14H,3-10,17H2,1-2H3.
What are the key properties of 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 83221508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).