2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol

C15H33NO2 — CID 64811638

IUPAC2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
SMILESCCCCCCOCCCCC(C)(CO)NCC
InChIInChI=1S/C15H33NO2/c1-4-6-7-9-12-18-13-10-8-11-15(3,14-17)16-5-2/h16-17H,4-14H2,1-3H3
InChIKeyJJFOEAWOBCIRCI-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.11
Rot. Bonds13

About 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol

2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol (PubChem CID 64811638) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
PubChem CID64811638
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
SMILESCCCCCCOCCCCC(C)(CO)NCC
InChIInChI=1S/C15H33NO2/c1-4-6-7-9-12-18-13-10-8-11-15(3,14-17)16-5-2/h16-17H,4-14H2,1-3H3
InChIKeyJJFOEAWOBCIRCI-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
2-(ethylamino)-6-(2-ethylhexoxy)-2-methylhexan-1-ol
CID 64802738
6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053
3-(2-butoxyethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 64803984
2-(ethylamino)-2-methyl-4-propoxybutan-1-ol
CID 64806050
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
N-ethyl-7-methyltetradecan-7-amine
CID 593697
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-(ethylamino)-2-methyl-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64805300
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol?
The IUPAC name of 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol (CID 64811638) is 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol?
The canonical SMILES for 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol is CCCCCCOCCCCC(C)(CO)NCC.
What is the InChIKey of 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol?
The InChIKey is JJFOEAWOBCIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-4-6-7-9-12-18-13-10-8-11-15(3,14-17)16-5-2/h16-17H,4-14H2,1-3H3.
What are the key properties of 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol?
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol is sourced from PubChem (CID 64811638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).