3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol

C17H33NO3 — CID 106132395

IUPAC3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(OCC(O)CNCC2CCCC(O)C2)C1
InChIInChI=1S/C17H33NO3/c1-13-4-2-7-17(8-13)21-12-16(20)11-18-10-14-5-3-6-15(19)9-14/h13-20H,2-12H2,1H3
InChIKeyLWQKOSKFSBIMLF-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.08
Rot. Bonds7

About 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol

3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132395) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132395
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(OCC(O)CNCC2CCCC(O)C2)C1
InChIInChI=1S/C17H33NO3/c1-13-4-2-7-17(8-13)21-12-16(20)11-18-10-14-5-3-6-15(19)9-14/h13-20H,2-12H2,1H3
InChIKeyLWQKOSKFSBIMLF-UHFFFAOYSA-N
XLogP2.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
1-(2-bicyclo[2.2.1]heptanylmethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63682308
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638
1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669620

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol (CID 106132395) is 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol is CC1CCCC(OCC(O)CNCC2CCCC(O)C2)C1.
What is the InChIKey of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is LWQKOSKFSBIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-13-4-2-7-17(8-13)21-12-16(20)11-18-10-14-5-3-6-15(19)9-14/h13-20H,2-12H2,1H3.
What are the key properties of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol?
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 299.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).