4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol

C16H33NO3 — CID 62610112

IUPAC4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
SMILESCOCC(O)CN(C)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H33NO3/c1-16(2,3)13-6-7-15(19)12(8-13)9-17(4)10-14(18)11-20-5/h12-15,18-19H,6-11H2,1-5H3
InChIKeyWPCRFFRSECMPBS-UHFFFAOYSA-N
MW287.44 g/mol
LogP1.75
Rot. Bonds6

About 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol (PubChem CID 62610112) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
PubChem CID62610112
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
SMILESCOCC(O)CN(C)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H33NO3/c1-16(2,3)13-6-7-15(19)12(8-13)9-17(4)10-14(18)11-20-5/h12-15,18-19H,6-11H2,1-5H3
InChIKeyWPCRFFRSECMPBS-UHFFFAOYSA-N
XLogP1.75
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
CID 62610969
1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989
4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 62610075
(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol
CID 98888549
4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 63487546
1-methoxy-3-[methyl(piperidin-3-ylmethyl)amino]propan-2-ol
CID 80554421
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
CID 62610370
2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 109394088
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62015764

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol (CID 62610112) is 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol is COCC(O)CN(C)CC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is WPCRFFRSECMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-16(2,3)13-6-7-15(19)12(8-13)9-17(4)10-14(18)11-20-5/h12-15,18-19H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).