1-(tert-butylamino)propan-2-ol;formic acid

C8H19NO3 — CID 158906125

IUPAC1-(tert-butylamino)propan-2-ol;formic acid
SMILESCC(O)CNC(C)(C)C.O=CO
InChIInChI=1S/C7H17NO.CH2O2/c1-6(9)5-8-7(2,3)4;2-1-3/h6,8-9H,5H2,1-4H3;1H,(H,2,3)
InChIKeyJGBJIGJCUJOOLX-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.46
Rot. Bonds2

About 1-(tert-butylamino)propan-2-ol;formic acid

1-(tert-butylamino)propan-2-ol;formic acid (PubChem CID 158906125) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(tert-butylamino)propan-2-ol;formic acid.

Molecular Properties

Compound Name1-(tert-butylamino)propan-2-ol;formic acid
PubChem CID158906125
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name1-(tert-butylamino)propan-2-ol;formic acid
SMILESCC(O)CNC(C)(C)C.O=CO
InChIInChI=1S/C7H17NO.CH2O2/c1-6(9)5-8-7(2,3)4;2-1-3/h6,8-9H,5H2,1-4H3;1H,(H,2,3)
InChIKeyJGBJIGJCUJOOLX-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(tert-butylamino)propan-2-ol;formic acid 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)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
3-(tert-butylamino)-2-hydroxypropanoic acid
CID 83694818
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
CID 107852675
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)propan-2-ol;formic acid?
The IUPAC name of 1-(tert-butylamino)propan-2-ol;formic acid (CID 158906125) is 1-(tert-butylamino)propan-2-ol;formic acid.
What is the SMILES notation for 1-(tert-butylamino)propan-2-ol;formic acid?
The canonical SMILES for 1-(tert-butylamino)propan-2-ol;formic acid is CC(O)CNC(C)(C)C.O=CO.
What is the InChIKey of 1-(tert-butylamino)propan-2-ol;formic acid?
The InChIKey is JGBJIGJCUJOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.CH2O2/c1-6(9)5-8-7(2,3)4;2-1-3/h6,8-9H,5H2,1-4H3;1H,(H,2,3).
What are the key properties of 1-(tert-butylamino)propan-2-ol;formic acid?
1-(tert-butylamino)propan-2-ol;formic acid has a molecular weight of 177.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)propan-2-ol;formic acid is sourced from PubChem (CID 158906125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).