[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol

C18H38N2O — CID 102997292

IUPAC[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
SMILESCCN(CC)CCCN(CC)CC1(CO)CCCC(C)C1
InChIInChI=1S/C18H38N2O/c1-5-19(6-2)12-9-13-20(7-3)15-18(16-21)11-8-10-17(4)14-18/h17,21H,5-16H2,1-4H3
InChIKeyVIZVDVIMHDDAGA-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.23
Rot. Bonds10

About [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol

[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol (PubChem CID 102997292) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
PubChem CID102997292
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
SMILESCCN(CC)CCCN(CC)CC1(CO)CCCC(C)C1
InChIInChI=1S/C18H38N2O/c1-5-19(6-2)12-9-13-20(7-3)15-18(16-21)11-8-10-17(4)14-18/h17,21H,5-16H2,1-4H3
InChIKeyVIZVDVIMHDDAGA-UHFFFAOYSA-N
XLogP3.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994473
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
CID 107487176
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
1,1-diethyl-3-methylcyclohexane
CID 19090157
[1-[[2-(dimethylamino)ethyl-ethylamino]methyl]cyclopropyl]methanol
CID 167120213
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopentyl]methanol
CID 107401743
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol (CID 102997292) is [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol is CCN(CC)CCCN(CC)CC1(CO)CCCC(C)C1.
What is the InChIKey of [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol?
The InChIKey is VIZVDVIMHDDAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-19(6-2)12-9-13-20(7-3)15-18(16-21)11-8-10-17(4)14-18/h17,21H,5-16H2,1-4H3.
What are the key properties of [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol?
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol has a molecular weight of 298.51 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 102997292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).