3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol

C12H27NO4 — CID 114358392

IUPAC3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
SMILESCOCCOCCOC(CO)C(N)CC(C)C
InChIInChI=1S/C12H27NO4/c1-10(2)8-11(13)12(9-14)17-7-6-16-5-4-15-3/h10-12,14H,4-9,13H2,1-3H3
InChIKeySMGMEFPENBPPGC-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.40
Rot. Bonds11

About 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol

3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol (PubChem CID 114358392) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
PubChem CID114358392
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
SMILESCOCCOCCOC(CO)C(N)CC(C)C
InChIInChI=1S/C12H27NO4/c1-10(2)8-11(13)12(9-14)17-7-6-16-5-4-15-3/h10-12,14H,4-9,13H2,1-3H3
InChIKeySMGMEFPENBPPGC-UHFFFAOYSA-N
XLogP0.40
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 114358390
3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 114358393
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
CID 114357961
2-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57305143
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308
3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
CID 114358005

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol (CID 114358392) is 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol is COCCOCCOC(CO)C(N)CC(C)C.
What is the InChIKey of 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol?
The InChIKey is SMGMEFPENBPPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-10(2)8-11(13)12(9-14)17-7-6-16-5-4-15-3/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol?
3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 0.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol is sourced from PubChem (CID 114358392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).