[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol

C15H31NO2 — CID 81074444

IUPAC[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
SMILESCC1CCCC(CO)(CN(C)CCOC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-13(2)18-9-8-16(4)11-15(12-17)7-5-6-14(3)10-15/h13-14,17H,5-12H2,1-4H3
InChIKeyVQEKWTDQDNMCHZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.53
Rot. Bonds7

About [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol

[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol (PubChem CID 81074444) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
PubChem CID81074444
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
SMILESCC1CCCC(CO)(CN(C)CCOC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-13(2)18-9-8-16(4)11-15(12-17)7-5-6-14(3)10-15/h13-14,17H,5-12H2,1-4H3
InChIKeyVQEKWTDQDNMCHZ-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 [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methanol
CID 81074081
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
N-[[4-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 81063355
N-methyl-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]-2-propan-2-yloxyethanamine
CID 81074520
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
CID 113499916
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81063204
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
CID 107487176
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
CID 54957909

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol (CID 81074444) is [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol is CC1CCCC(CO)(CN(C)CCOC(C)C)C1.
What is the InChIKey of [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is VQEKWTDQDNMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)18-9-8-16(4)11-15(12-17)7-5-6-14(3)10-15/h13-14,17H,5-12H2,1-4H3.
What are the key properties of [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol?
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]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 [3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81074444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).