6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol

C17H35NO2 — CID 64811173

IUPAC6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOCC1CCCCC1
InChIInChI=1S/C17H35NO2/c1-3-12-18-17(2,15-19)11-7-8-13-20-14-16-9-5-4-6-10-16/h16,18-19H,3-15H2,1-2H3
InChIKeyOWWKYLQHNLGYSS-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.50
Rot. Bonds11

About 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol

6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64811173) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64811173
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOCC1CCCCC1
InChIInChI=1S/C17H35NO2/c1-3-12-18-17(2,15-19)11-7-8-13-20-14-16-9-5-4-6-10-16/h16,18-19H,3-15H2,1-2H3
InChIKeyOWWKYLQHNLGYSS-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64808646
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
5-(cyclohexylmethoxy)-N-propylpentan-1-amine
CID 62485454
2-(cyclopentylmethylamino)-2-methylpentan-1-ol
CID 115882646

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol (CID 64811173) is 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCOCC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is OWWKYLQHNLGYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-12-18-17(2,15-19)11-7-8-13-20-14-16-9-5-4-6-10-16/h16,18-19H,3-15H2,1-2H3.
What are the key properties of 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol?
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64811173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).