[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol

C15H31NO2 — CID 82952946

IUPAC[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol
SMILESCOCCN(CC1(CO)CCC(C)CC1)C(C)C
InChIInChI=1S/C15H31NO2/c1-13(2)16(9-10-18-4)11-15(12-17)7-5-14(3)6-8-15/h13-14,17H,5-12H2,1-4H3
InChIKeyYBQADGXDGACIBE-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.53
Rot. Bonds7

About [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol

[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol (PubChem CID 82952946) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol
PubChem CID82952946
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol
SMILESCOCCN(CC1(CO)CCC(C)CC1)C(C)C
InChIInChI=1S/C15H31NO2/c1-13(2)16(9-10-18-4)11-15(12-17)7-5-14(3)6-8-15/h13-14,17H,5-12H2,1-4H3
InChIKeyYBQADGXDGACIBE-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
CID 82953185
N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 82953327
[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-4-yl]methanethiol
CID 82965927
N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 82953013
[1-(cyclopropylamino)-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 82944341
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
[1-amino-3-[2-methoxyethyl(propan-2-yl)amino]cyclopentyl]methanol
CID 82965328
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441735
2-[2-(3-methoxypropoxy)ethyl-propan-2-ylamino]ethanol
CID 103182683

Frequently Asked Questions

What is the IUPAC name of [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol (CID 82952946) is [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol is COCCN(CC1(CO)CCC(C)CC1)C(C)C.
What is the InChIKey of [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol?
The InChIKey is YBQADGXDGACIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)16(9-10-18-4)11-15(12-17)7-5-14(3)6-8-15/h13-14,17H,5-12H2,1-4H3.
What are the key properties of [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol?
[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol has a molecular weight of 257.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 82952946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).