1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol

C12H27NO2 — CID 59264316

IUPAC1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
SMILESCCOCC(O)CNC(C)CC(C)CC
InChIInChI=1S/C12H27NO2/c1-5-10(3)7-11(4)13-8-12(14)9-15-6-2/h10-14H,5-9H2,1-4H3
InChIKeyIVIVZIYRVQPPJU-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds9

About 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol

1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol (PubChem CID 59264316) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
PubChem CID59264316
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
SMILESCCOCC(O)CNC(C)CC(C)CC
InChIInChI=1S/C12H27NO2/c1-5-10(3)7-11(4)13-8-12(14)9-15-6-2/h10-14H,5-9H2,1-4H3
InChIKeyIVIVZIYRVQPPJU-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol (CID 59264316) is 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol is CCOCC(O)CNC(C)CC(C)CC.
What is the InChIKey of 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol?
The InChIKey is IVIVZIYRVQPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-10(3)7-11(4)13-8-12(14)9-15-6-2/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol?
1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 59264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).