2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol

C17H33NO3 — CID 64809105

IUPAC2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
SMILESCOC1CCCC(OCCCCC(C)(CO)NC2CC2)C1
InChIInChI=1S/C17H33NO3/c1-17(13-19,18-14-8-9-14)10-3-4-11-21-16-7-5-6-15(12-16)20-2/h14-16,18-19H,3-13H2,1-2H3
InChIKeyDTXFSEWBIISGMR-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.63
Rot. Bonds10

About 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol

2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol (PubChem CID 64809105) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
PubChem CID64809105
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
SMILESCOC1CCCC(OCCCCC(C)(CO)NC2CC2)C1
InChIInChI=1S/C17H33NO3/c1-17(13-19,18-14-8-9-14)10-3-4-11-21-16-7-5-6-15(12-16)20-2/h14-16,18-19H,3-13H2,1-2H3
InChIKeyDTXFSEWBIISGMR-UHFFFAOYSA-N
XLogP2.63
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol (CID 64809105) is 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol is COC1CCCC(OCCCCC(C)(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol?
The InChIKey is DTXFSEWBIISGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-17(13-19,18-14-8-9-14)10-3-4-11-21-16-7-5-6-15(12-16)20-2/h14-16,18-19H,3-13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol is sourced from PubChem (CID 64809105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).