3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol

C10H23NO3 — CID 103033421

IUPAC3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
SMILESCOC(C)(C)CCNCC(C)(O)CO
InChIInChI=1S/C10H23NO3/c1-9(2,14-4)5-6-11-7-10(3,13)8-12/h11-13H,5-8H2,1-4H3
InChIKeyWNTBQWZWSLLNHA-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.13
Rot. Bonds7

About 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol

3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol (PubChem CID 103033421) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
PubChem CID103033421
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
SMILESCOC(C)(C)CCNCC(C)(O)CO
InChIInChI=1S/C10H23NO3/c1-9(2,14-4)5-6-11-7-10(3,13)8-12/h11-13H,5-8H2,1-4H3
InChIKeyWNTBQWZWSLLNHA-UHFFFAOYSA-N
XLogP0.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol 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

3-[(3-hydroxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 79355887
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
CID 107445809
4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
CID 66186020
2-methyl-3-(3-methylsulfanylpropylamino)propane-1,2-diol
CID 66169425
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
CID 66187180
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-(2-cyclopropylethylamino)-2-methylpropane-1,2-diol
CID 66186922
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 104760312

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol (CID 103033421) is 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol is COC(C)(C)CCNCC(C)(O)CO.
What is the InChIKey of 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is WNTBQWZWSLLNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(2,14-4)5-6-11-7-10(3,13)8-12/h11-13H,5-8H2,1-4H3.
What are the key properties of 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol?
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 205.30 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 103033421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).