2-methyl-4-octoxy-2-(propylamino)pentan-1-ol

C17H37NO2 — CID 64809987

IUPAC2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
SMILESCCCCCCCCOC(C)CC(C)(CO)NCCC
InChIInChI=1S/C17H37NO2/c1-5-7-8-9-10-11-13-20-16(3)14-17(4,15-19)18-12-6-2/h16,18-19H,5-15H2,1-4H3
InChIKeyLPEWVKHWTDKBAZ-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.89
Rot. Bonds14

About 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol

2-methyl-4-octoxy-2-(propylamino)pentan-1-ol (PubChem CID 64809987) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
PubChem CID64809987
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
SMILESCCCCCCCCOC(C)CC(C)(CO)NCCC
InChIInChI=1S/C17H37NO2/c1-5-7-8-9-10-11-13-20-16(3)14-17(4,15-19)18-12-6-2/h16,18-19H,5-15H2,1-4H3
InChIKeyLPEWVKHWTDKBAZ-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.89
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-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
CID 64802111
2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
CID 64809585
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 103181446
2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol
CID 64802518
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 82793916
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol (CID 64809987) is 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol is CCCCCCCCOC(C)CC(C)(CO)NCCC.
What is the InChIKey of 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol?
The InChIKey is LPEWVKHWTDKBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-5-7-8-9-10-11-13-20-16(3)14-17(4,15-19)18-12-6-2/h16,18-19H,5-15H2,1-4H3.
What are the key properties of 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol?
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol has a molecular weight of 287.49 g/mol, XLogP of 3.89, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-octoxy-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64809987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).