2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol

C18H35NO2 — CID 64807530

IUPAC2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
SMILESCC1CC(C)CC(OCCCCC(C)(CO)NC2CC2)C1
InChIInChI=1S/C18H35NO2/c1-14-10-15(2)12-17(11-14)21-9-5-4-8-18(3,13-20)19-16-6-7-16/h14-17,19-20H,4-13H2,1-3H3
InChIKeyXESPTPGVRZMWLZ-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds9

About 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol

2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol (PubChem CID 64807530) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
PubChem CID64807530
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
SMILESCC1CC(C)CC(OCCCCC(C)(CO)NC2CC2)C1
InChIInChI=1S/C18H35NO2/c1-14-10-15(2)12-17(11-14)21-9-5-4-8-18(3,13-20)19-16-6-7-16/h14-17,19-20H,4-13H2,1-3H3
InChIKeyXESPTPGVRZMWLZ-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
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

2-(cyclopropylamino)-5-(3,5-dimethylcyclohexyl)oxy-2-methylpentan-1-ol
CID 64808158
2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
CID 64805072
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
CID 64809105
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
2-(cyclopropylamino)-5-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64798617
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
6-(3,5-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)hexanoic acid
CID 64728640
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
2-(cyclopropylamino)-4-(2-ethoxyethoxy)-2-methylbutan-1-ol
CID 64802763

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol (CID 64807530) is 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol is CC1CC(C)CC(OCCCCC(C)(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol?
The InChIKey is XESPTPGVRZMWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-14-10-15(2)12-17(11-14)21-9-5-4-8-18(3,13-20)19-16-6-7-16/h14-17,19-20H,4-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol is sourced from PubChem (CID 64807530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).