1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol

C13H27NO2 — CID 107448542

IUPAC1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCOCC(O)CNC1CCCC(C(C)C)C1
InChIInChI=1S/C13H27NO2/c1-10(2)11-5-4-6-12(7-11)14-8-13(15)9-16-3/h10-15H,4-9H2,1-3H3
InChIKeyUUDDKGUXGPOYCZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds6

About 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol

1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol (PubChem CID 107448542) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol
PubChem CID107448542
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCOCC(O)CNC1CCCC(C(C)C)C1
InChIInChI=1S/C13H27NO2/c1-10(2)11-5-4-6-12(7-11)14-8-13(15)9-16-3/h10-15H,4-9H2,1-3H3
InChIKeyUUDDKGUXGPOYCZ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
CID 65080146
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750
N-(2-piperidin-1-ylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448376
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 65472026
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-methoxypropan-2-ol
CID 63930703

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol (CID 107448542) is 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol is COCC(O)CNC1CCCC(C(C)C)C1.
What is the InChIKey of 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol?
The InChIKey is UUDDKGUXGPOYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)11-5-4-6-12(7-11)14-8-13(15)9-16-3/h10-15H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol?
1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 107448542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).