2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol

C18H37NO2 — CID 64802731

IUPAC2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol
SMILESCC1CC(OCCCC(C)(CO)NC(C)C)CC(C)(C)C1
InChIInChI=1S/C18H37NO2/c1-14(2)19-18(6,13-20)8-7-9-21-16-10-15(3)11-17(4,5)12-16/h14-16,19-20H,7-13H2,1-6H3
InChIKeyXBTKBGWGNOURMS-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.75
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol

2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol (PubChem CID 64802731) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol
PubChem CID64802731
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol
SMILESCC1CC(OCCCC(C)(CO)NC(C)C)CC(C)(C)C1
InChIInChI=1S/C18H37NO2/c1-14(2)19-18(6,13-20)8-7-9-21-16-10-15(3)11-17(4,5)12-16/h14-16,19-20H,7-13H2,1-6H3
InChIKeyXBTKBGWGNOURMS-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol (CID 64802731) is 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol is CC1CC(OCCCC(C)(CO)NC(C)C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol?
The InChIKey is XBTKBGWGNOURMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-14(2)19-18(6,13-20)8-7-9-21-16-10-15(3)11-17(4,5)12-16/h14-16,19-20H,7-13H2,1-6H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol?
2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol is sourced from PubChem (CID 64802731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).