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

C18H39NO2 — CID 64811651

IUPAC2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
SMILESCCCCCCCCOCCCCC(C)(CO)NCCC
InChIInChI=1S/C18H39NO2/c1-4-6-7-8-9-11-15-21-16-12-10-13-18(3,17-20)19-14-5-2/h19-20H,4-17H2,1-3H3
InChIKeyHVBWAIPOWQSSPF-UHFFFAOYSA-N
MW301.51 g/mol
LogP4.28
Rot. Bonds16

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

2-methyl-6-octoxy-2-(propylamino)hexan-1-ol (PubChem CID 64811651) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
PubChem CID64811651
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC Name2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
SMILESCCCCCCCCOCCCCC(C)(CO)NCCC
InChIInChI=1S/C18H39NO2/c1-4-6-7-8-9-11-15-21-16-12-10-13-18(3,17-20)19-14-5-2/h19-20H,4-17H2,1-3H3
InChIKeyHVBWAIPOWQSSPF-UHFFFAOYSA-N
XLogP4.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.28
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)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
CID 64809585
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-(2-hydroxyethylamino)-2-methylhexan-1-ol
CID 146587998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol (CID 64811651) is 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol is CCCCCCCCOCCCCC(C)(CO)NCCC.
What is the InChIKey of 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol?
The InChIKey is HVBWAIPOWQSSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-4-6-7-8-9-11-15-21-16-12-10-13-18(3,17-20)19-14-5-2/h19-20H,4-17H2,1-3H3.
What are the key properties of 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol?
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol has a molecular weight of 301.51 g/mol, XLogP of 4.28, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-octoxy-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).