1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one

C16H29NO2 — CID 79074672

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCCC(C(=O)CCC2CCCO2)(N(C)C)C1
InChIInChI=1S/C16H29NO2/c1-13-6-4-10-16(12-13,17(2)3)15(18)9-8-14-7-5-11-19-14/h13-14H,4-12H2,1-3H3
InChIKeyQYVABEUDMIYQTA-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.03
Rot. Bonds5

About 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one

1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 79074672) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
PubChem CID79074672
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCCC(C(=O)CCC2CCCO2)(N(C)C)C1
InChIInChI=1S/C16H29NO2/c1-13-6-4-10-16(12-13,17(2)3)15(18)9-8-14-7-5-11-19-14/h13-14H,4-12H2,1-3H3
InChIKeyQYVABEUDMIYQTA-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
CID 58143477
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
CID 79074600
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65156261

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one (CID 79074672) is 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one is CC1CCCC(C(=O)CCC2CCCO2)(N(C)C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is QYVABEUDMIYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-6-4-10-16(12-13,17(2)3)15(18)9-8-14-7-5-11-19-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one?
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 267.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 79074672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).