1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

C15H31NO3 — CID 60970955

IUPAC1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCOCCCCNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO3/c1-13-6-5-7-15(10-13)19-12-14(17)11-16-8-3-4-9-18-2/h13-17H,3-12H2,1-2H3
InChIKeyRBUDEPUGQDZDDY-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds10

About 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60970955) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID60970955
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCOCCCCNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO3/c1-13-6-5-7-15(10-13)19-12-14(17)11-16-8-3-4-9-18-2/h13-17H,3-12H2,1-2H3
InChIKeyRBUDEPUGQDZDDY-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
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
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
CID 62597111
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 60970955) is 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is COCCCCNCC(O)COC1CCCC(C)C1.
What is the InChIKey of 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is RBUDEPUGQDZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13-6-5-7-15(10-13)19-12-14(17)11-16-8-3-4-9-18-2/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60970955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).