1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol

C11H25NO3 — CID 60702220

IUPAC1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCCONCC(O)COCCCC(C)C
InChIInChI=1S/C11H25NO3/c1-4-15-12-8-11(13)9-14-7-5-6-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyOMXWCMZQRZYSQX-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.34
Rot. Bonds10

About 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol

1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60702220) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID60702220
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCCONCC(O)COCCCC(C)C
InChIInChI=1S/C11H25NO3/c1-4-15-12-8-11(13)9-14-7-5-6-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyOMXWCMZQRZYSQX-UHFFFAOYSA-N
XLogP1.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 114941923
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol (CID 60702220) is 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol is CCONCC(O)COCCCC(C)C.
What is the InChIKey of 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is OMXWCMZQRZYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-15-12-8-11(13)9-14-7-5-6-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60702220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).