2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C13H24N2O2 — CID 55211733

IUPAC2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESNC1CCCC(CC(=O)N2CCCC2CO)C1
InChIInChI=1S/C13H24N2O2/c14-11-4-1-3-10(7-11)8-13(17)15-6-2-5-12(15)9-16/h10-12,16H,1-9,14H2
InChIKeyWVHJNDMTWHZOSA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.88
Rot. Bonds3

About 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 55211733) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID55211733
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESNC1CCCC(CC(=O)N2CCCC2CO)C1
InChIInChI=1S/C13H24N2O2/c14-11-4-1-3-10(7-11)8-13(17)15-6-2-5-12(15)9-16/h10-12,16H,1-9,14H2
InChIKeyWVHJNDMTWHZOSA-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79029120
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634525
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone
CID 62782273
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114597345
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 55211733) is 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is NC1CCCC(CC(=O)N2CCCC2CO)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WVHJNDMTWHZOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-11-4-1-3-10(7-11)8-13(17)15-6-2-5-12(15)9-16/h10-12,16H,1-9,14H2.
What are the key properties of 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 55211733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).