1-(tert-butylamino)-2-(methylamino)ethanol

C7H18N2O — CID 166823664

IUPAC1-(tert-butylamino)-2-(methylamino)ethanol
SMILESCNCC(O)NC(C)(C)C
InChIInChI=1S/C7H18N2O/c1-7(2,3)9-6(10)5-8-4/h6,8-10H,5H2,1-4H3
InChIKeyUZUFGBXTPZHYBB-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.09
Rot. Bonds3

About 1-(tert-butylamino)-2-(methylamino)ethanol

1-(tert-butylamino)-2-(methylamino)ethanol (PubChem CID 166823664) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(methylamino)ethanol
PubChem CID166823664
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-(tert-butylamino)-2-(methylamino)ethanol
SMILESCNCC(O)NC(C)(C)C
InChIInChI=1S/C7H18N2O/c1-7(2,3)9-6(10)5-8-4/h6,8-10H,5H2,1-4H3
InChIKeyUZUFGBXTPZHYBB-UHFFFAOYSA-N
XLogP-0.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
3,3,5,5-tetramethyl-1-(methylamino)hexan-2-ol
CID 135134903
1-(tert-butylamino)-2-methylpropan-1-ol
CID 23232997
2-tert-butyl-N-methylbut-3-en-1-amine
CID 134342155
N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
CID 84669079
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
N-tert-butyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62336075
1-(methylamino)butan-2-ol;hydrate
CID 173049330
butan-2-ol;1-(methylamino)propan-2-ol
CID 143199215
1-(tert-butylamino)-2,2,2-trichloroethanol
CID 15321157
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
CID 117241786

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(methylamino)ethanol?
The IUPAC name of 1-(tert-butylamino)-2-(methylamino)ethanol (CID 166823664) is 1-(tert-butylamino)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(tert-butylamino)-2-(methylamino)ethanol?
The canonical SMILES for 1-(tert-butylamino)-2-(methylamino)ethanol is CNCC(O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-(methylamino)ethanol?
The InChIKey is UZUFGBXTPZHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(2,3)9-6(10)5-8-4/h6,8-10H,5H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(methylamino)ethanol?
1-(tert-butylamino)-2-(methylamino)ethanol has a molecular weight of 146.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(methylamino)ethanol is sourced from PubChem (CID 166823664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).