1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile

C13H23N3 — CID 79565051

IUPAC1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CCN(CCC2CCCC2(N)C#N)C1
InChIInChI=1S/C13H23N3/c1-11-4-7-16(9-11)8-5-12-3-2-6-13(12,15)10-14/h11-12H,2-9,15H2,1H3
InChIKeyUUWJCRKDKCKEJH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.74
Rot. Bonds3

About 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79565051) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79565051
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CCN(CCC2CCCC2(N)C#N)C1
InChIInChI=1S/C13H23N3/c1-11-4-7-16(9-11)8-5-12-3-2-6-13(12,15)10-14/h11-12H,2-9,15H2,1H3
InChIKeyUUWJCRKDKCKEJH-UHFFFAOYSA-N
XLogP1.74
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile (CID 79565051) is 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile is CC1CCN(CCC2CCCC2(N)C#N)C1.
What is the InChIKey of 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is UUWJCRKDKCKEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-4-7-16(9-11)8-5-12-3-2-6-13(12,15)10-14/h11-12H,2-9,15H2,1H3.
What are the key properties of 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).