3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one

C14H26N2O2 — CID 65119516

IUPAC3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCCNC1CCN(CC2(O)CCCC(C)C2)C1=O
InChIInChI=1S/C14H26N2O2/c1-3-15-12-6-8-16(13(12)17)10-14(18)7-4-5-11(2)9-14/h11-12,15,18H,3-10H2,1-2H3
InChIKeyYQRQRZRCYMYMLC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds4

About 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one

3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 65119516) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
PubChem CID65119516
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCCNC1CCN(CC2(O)CCCC(C)C2)C1=O
InChIInChI=1S/C14H26N2O2/c1-3-15-12-6-8-16(13(12)17)10-14(18)7-4-5-11(2)9-14/h11-12,15,18H,3-10H2,1-2H3
InChIKeyYQRQRZRCYMYMLC-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 65118896
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 65118942
3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
CID 65122174
1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370735
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
2-[(1-hydroxy-3-methylcyclohexyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 65121224
3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 114617326
3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
CID 115366236
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 114148602
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65115830
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one (CID 65119516) is 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one is CCNC1CCN(CC2(O)CCCC(C)C2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is YQRQRZRCYMYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-15-12-6-8-16(13(12)17)10-14(18)7-4-5-11(2)9-14/h11-12,15,18H,3-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one?
3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 65119516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).