N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine

C12H22N2 — CID 103845312

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCCC2=CCCC2)C1
InChIInChI=1S/C12H22N2/c1-14-9-7-12(10-14)13-8-6-11-4-2-3-5-11/h4,12-13H,2-3,5-10H2,1H3
InChIKeySGDFOCOUVSHWPC-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 103845312) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID103845312
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCCC2=CCCC2)C1
InChIInChI=1S/C12H22N2/c1-14-9-7-12(10-14)13-8-6-11-4-2-3-5-11/h4,12-13H,2-3,5-10H2,1H3
InChIKeySGDFOCOUVSHWPC-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine (CID 103845312) is N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine is CN1CCC(NCCC2=CCCC2)C1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is SGDFOCOUVSHWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-14-9-7-12(10-14)13-8-6-11-4-2-3-5-11/h4,12-13H,2-3,5-10H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 103845312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).