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

C12H27NO4 — CID 82723139

IUPAC1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCOCCONCC(O)COCCCC(C)C
InChIInChI=1S/C12H27NO4/c1-11(2)5-4-6-16-10-12(14)9-13-17-8-7-15-3/h11-14H,4-10H2,1-3H3
InChIKeyCZIAEPWKTAOQAA-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.97
Rot. Bonds12

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

1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 82723139) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID82723139
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCOCCONCC(O)COCCCC(C)C
InChIInChI=1S/C12H27NO4/c1-11(2)5-4-6-16-10-12(14)9-13-17-8-7-15-3/h11-14H,4-10H2,1-3H3
InChIKeyCZIAEPWKTAOQAA-UHFFFAOYSA-N
XLogP0.97
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-(4-methylpentoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905327
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol (CID 82723139) is 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol is COCCONCC(O)COCCCC(C)C.
What is the InChIKey of 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is CZIAEPWKTAOQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-11(2)5-4-6-16-10-12(14)9-13-17-8-7-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol?
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 0.97, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 82723139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).