1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol

C16H31NO2 — CID 79081968

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol
SMILESCC1CCC(C(O)CC2CCOCC2)(N(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-13-4-8-16(9-5-13,17(2)3)15(18)12-14-6-10-19-11-7-14/h13-15,18H,4-12H2,1-3H3
InChIKeyXACCTHPLCLLARW-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.67
Rot. Bonds4

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol

1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol (PubChem CID 79081968) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol
PubChem CID79081968
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol
SMILESCC1CCC(C(O)CC2CCOCC2)(N(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-13-4-8-16(9-5-13,17(2)3)15(18)12-14-6-10-19-11-7-14/h13-15,18H,4-12H2,1-3H3
InChIKeyXACCTHPLCLLARW-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylpentan-1-ol
CID 79066173
1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol
CID 114473947
1-[1-amino-2-(oxan-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080920
1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074502
2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 79074352
1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
CID 79087400
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
CID 116753033
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074963
[1-(dimethylamino)-4-methylcyclohexyl]-(oxan-4-yl)methanone
CID 79066312
1-[hydrazinyl(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243421

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol (CID 79081968) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol is CC1CCC(C(O)CC2CCOCC2)(N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol?
The InChIKey is XACCTHPLCLLARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13-4-8-16(9-5-13,17(2)3)15(18)12-14-6-10-19-11-7-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol?
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol has a molecular weight of 269.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 79081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).