2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone

C18H32N2O — CID 78843214

IUPAC2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(C1CCCCC1)C1CCCCC1)N1CCCC1
InChIInChI=1S/C18H32N2O/c21-18(19-13-7-8-14-19)15-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h16-17H,1-15H2
InChIKeyKXYMYBVQQRERPO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.58
Rot. Bonds4

About 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone

2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 78843214) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
PubChem CID78843214
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(C1CCCCC1)C1CCCCC1)N1CCCC1
InChIInChI=1S/C18H32N2O/c21-18(19-13-7-8-14-19)15-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h16-17H,1-15H2
InChIKeyKXYMYBVQQRERPO-UHFFFAOYSA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone
CID 97080313
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone (CID 78843214) is 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone is O=C(CN(C1CCCCC1)C1CCCCC1)N1CCCC1.
What is the InChIKey of 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is KXYMYBVQQRERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c21-18(19-13-7-8-14-19)15-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h16-17H,1-15H2.
What are the key properties of 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone?
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 292.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 78843214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).