1-ethoxy-3-(5-methylhexylamino)propan-2-ol

C12H27NO2 — CID 115325282

IUPAC1-ethoxy-3-(5-methylhexylamino)propan-2-ol
SMILESCCOCC(O)CNCCCCC(C)C
InChIInChI=1S/C12H27NO2/c1-4-15-10-12(14)9-13-8-6-5-7-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyOBXQDPXFZZCALS-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds10

About 1-ethoxy-3-(5-methylhexylamino)propan-2-ol

1-ethoxy-3-(5-methylhexylamino)propan-2-ol (PubChem CID 115325282) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-ethoxy-3-(5-methylhexylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(5-methylhexylamino)propan-2-ol
PubChem CID115325282
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-ethoxy-3-(5-methylhexylamino)propan-2-ol
SMILESCCOCC(O)CNCCCCC(C)C
InChIInChI=1S/C12H27NO2/c1-4-15-10-12(14)9-13-8-6-5-7-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyOBXQDPXFZZCALS-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
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

1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(5-methylhexylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(5-methylhexylamino)propan-2-ol (CID 115325282) is 1-ethoxy-3-(5-methylhexylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(5-methylhexylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(5-methylhexylamino)propan-2-ol is CCOCC(O)CNCCCCC(C)C.
What is the InChIKey of 1-ethoxy-3-(5-methylhexylamino)propan-2-ol?
The InChIKey is OBXQDPXFZZCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-15-10-12(14)9-13-8-6-5-7-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-ethoxy-3-(5-methylhexylamino)propan-2-ol?
1-ethoxy-3-(5-methylhexylamino)propan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(5-methylhexylamino)propan-2-ol is sourced from PubChem (CID 115325282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).