[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone

C15H28N2O — CID 112630786

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
SMILESCC(N)C1CCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O/c1-12(16)14-9-10-17(11-14)15(18)13-7-5-3-2-4-6-8-13/h12-14H,2-11,16H2,1H3
InChIKeyKIBRJUCCCVKWQA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds2

About [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone (PubChem CID 112630786) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
PubChem CID112630786
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
SMILESCC(N)C1CCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O/c1-12(16)14-9-10-17(11-14)15(18)13-7-5-3-2-4-6-8-13/h12-14H,2-11,16H2,1H3
InChIKeyKIBRJUCCCVKWQA-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051
3-(1-aminoethyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 103975960
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone (CID 112630786) is [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone is CC(N)C1CCN(C(=O)C2CCCCCCC2)C1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone?
The InChIKey is KIBRJUCCCVKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(16)14-9-10-17(11-14)15(18)13-7-5-3-2-4-6-8-13/h12-14H,2-11,16H2,1H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone has a molecular weight of 252.40 g/mol, XLogP of 2.54, 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]-cyclooctylmethanone is sourced from PubChem (CID 112630786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).