3-amino-2-hexoxy-4-methoxybutan-1-ol

C11H25NO3 — CID 114358118

IUPAC3-amino-2-hexoxy-4-methoxybutan-1-ol
SMILESCCCCCCOC(CO)C(N)COC
InChIInChI=1S/C11H25NO3/c1-3-4-5-6-7-15-11(8-13)10(12)9-14-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyGTAHALKEMINLRY-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.92
Rot. Bonds10

About 3-amino-2-hexoxy-4-methoxybutan-1-ol

3-amino-2-hexoxy-4-methoxybutan-1-ol (PubChem CID 114358118) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-amino-2-hexoxy-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-amino-2-hexoxy-4-methoxybutan-1-ol
PubChem CID114358118
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-amino-2-hexoxy-4-methoxybutan-1-ol
SMILESCCCCCCOC(CO)C(N)COC
InChIInChI=1S/C11H25NO3/c1-3-4-5-6-7-15-11(8-13)10(12)9-14-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyGTAHALKEMINLRY-UHFFFAOYSA-N
XLogP0.92
TPSA64.71 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-hexoxy-4-methoxybutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 114358390
3-amino-4-methyl-2-pentoxypentan-1-ol
CID 114358183
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
CID 114358317
2-amino-2-tridecoxyethanol
CID 121414991
5-amino-2,3-dihexadecoxy-5-methylhexan-1-ol
CID 87133605
4-(1-hexadecoxy-2-methoxyethyl)heptane-1,2-diol
CID 173116250
2-hexadecoxypropane-1,3-diol
CID 12924931
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
octoxymethanediamine
CID 142625053

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hexoxy-4-methoxybutan-1-ol?
The IUPAC name of 3-amino-2-hexoxy-4-methoxybutan-1-ol (CID 114358118) is 3-amino-2-hexoxy-4-methoxybutan-1-ol.
What is the SMILES notation for 3-amino-2-hexoxy-4-methoxybutan-1-ol?
The canonical SMILES for 3-amino-2-hexoxy-4-methoxybutan-1-ol is CCCCCCOC(CO)C(N)COC.
What is the InChIKey of 3-amino-2-hexoxy-4-methoxybutan-1-ol?
The InChIKey is GTAHALKEMINLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-3-4-5-6-7-15-11(8-13)10(12)9-14-2/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 3-amino-2-hexoxy-4-methoxybutan-1-ol?
3-amino-2-hexoxy-4-methoxybutan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hexoxy-4-methoxybutan-1-ol is sourced from PubChem (CID 114358118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).