2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone

C13H24N2O2 — CID 114762459

IUPAC2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)C1CCC(O)CC1
InChIInChI=1S/C13H24N2O2/c1-14(11-4-6-12(16)7-5-11)10-13(17)15-8-2-3-9-15/h11-12,16H,2-10H2,1H3
InChIKeyLOOHOMYUKIWQCK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.84
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 114762459) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID114762459
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)C1CCC(O)CC1
InChIInChI=1S/C13H24N2O2/c1-14(11-4-6-12(16)7-5-11)10-13(17)15-8-2-3-9-15/h11-12,16H,2-10H2,1H3
InChIKeyLOOHOMYUKIWQCK-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
3,3-dimethyl-1-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]butan-1-one
CID 140912225
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 114762459) is 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)C1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is LOOHOMYUKIWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14(11-4-6-12(16)7-5-11)10-13(17)15-8-2-3-9-15/h11-12,16H,2-10H2,1H3.
What are the key properties of 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114762459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).