[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone

C13H24N2O — CID 107181051

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCC2C)C1
InChIInChI=1S/C13H24N2O/c1-9-4-3-5-12(9)13(16)15-7-6-11(8-15)10(2)14/h9-12H,3-8,14H2,1-2H3
InChIKeyLXRXBNYQCLXXOF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds2

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone (PubChem CID 107181051) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
PubChem CID107181051
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCC2C)C1
InChIInChI=1S/C13H24N2O/c1-9-4-3-5-12(9)13(16)15-7-6-11(8-15)10(2)14/h9-12H,3-8,14H2,1-2H3
InChIKeyLXRXBNYQCLXXOF-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629300
cis-(1S,2R)-2-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114092803
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 131070818
(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625202
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
CID 119593107
3-(1-aminoethyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 103975960
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone (CID 107181051) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone is CC(N)C1CCN(C(=O)C2CCCC2C)C1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone?
The InChIKey is LXRXBNYQCLXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-4-3-5-12(9)13(16)15-7-6-11(8-15)10(2)14/h9-12H,3-8,14H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107181051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).