1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol

C13H27NO3 — CID 106254028

IUPAC1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
SMILESCOCCC(C)(O)CNCC1(O)CCCCC1
InChIInChI=1S/C13H27NO3/c1-12(15,8-9-17-2)10-14-11-13(16)6-4-3-5-7-13/h14-16H,3-11H2,1-2H3
InChIKeyXTCYKNLUNXKPMR-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.06
Rot. Bonds7

About 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol

1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106254028) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
PubChem CID106254028
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
SMILESCOCCC(C)(O)CNCC1(O)CCCCC1
InChIInChI=1S/C13H27NO3/c1-12(15,8-9-17-2)10-14-11-13(16)6-4-3-5-7-13/h14-16H,3-11H2,1-2H3
InChIKeyXTCYKNLUNXKPMR-UHFFFAOYSA-N
XLogP1.06
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 106246909
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 115664275
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol
CID 106254985
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol (CID 106254028) is 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol is COCCC(C)(O)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XTCYKNLUNXKPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(15,8-9-17-2)10-14-11-13(16)6-4-3-5-7-13/h14-16H,3-11H2,1-2H3.
What are the key properties of 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol?
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106254028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).