1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol

C15H31NO2 — CID 79376706

IUPAC1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)CC1(CO)CCC(C)CC1
InChIInChI=1S/C15H31NO2/c1-5-16(10-14(3,4)18)11-15(12-17)8-6-13(2)7-9-15/h13,17-18H,5-12H2,1-4H3
InChIKeyKEUJVSKTCRPJGR-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.27
Rot. Bonds6

About 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 79376706) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol
PubChem CID79376706
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)CC1(CO)CCC(C)CC1
InChIInChI=1S/C15H31NO2/c1-5-16(10-14(3,4)18)11-15(12-17)8-6-13(2)7-9-15/h13,17-18H,5-12H2,1-4H3
InChIKeyKEUJVSKTCRPJGR-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[ethyl-[[1-(hydroxymethyl)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
CID 79379007
1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79390593
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79377988
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopentyl]methanol
CID 107401743
1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
CID 79389933
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
1-[ethyl-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79379260
[1-[[2-(dimethylamino)ethyl-ethylamino]methyl]cyclopropyl]methanol
CID 167120213
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol
CID 82952946
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 79377499
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol (CID 79376706) is 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)CC1(CO)CCC(C)CC1.
What is the InChIKey of 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is KEUJVSKTCRPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-16(10-14(3,4)18)11-15(12-17)8-6-13(2)7-9-15/h13,17-18H,5-12H2,1-4H3.
What are the key properties of 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79376706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).