(2,3-dimethylbutan-2-ylamino)methanol

C7H17NO — CID 54319920

IUPAC(2,3-dimethylbutan-2-ylamino)methanol
SMILESCC(C)C(C)(C)NCO
InChIInChI=1S/C7H17NO/c1-6(2)7(3,4)8-5-9/h6,8-9H,5H2,1-4H3
InChIKeyXBLJMTJORYWBTL-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.96
Rot. Bonds3

About (2,3-dimethylbutan-2-ylamino)methanol

(2,3-dimethylbutan-2-ylamino)methanol (PubChem CID 54319920) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2,3-dimethylbutan-2-ylamino)methanol.

Molecular Properties

Compound Name(2,3-dimethylbutan-2-ylamino)methanol
PubChem CID54319920
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2,3-dimethylbutan-2-ylamino)methanol
SMILESCC(C)C(C)(C)NCO
InChIInChI=1S/C7H17NO/c1-6(2)7(3,4)8-5-9/h6,8-9H,5H2,1-4H3
InChIKeyXBLJMTJORYWBTL-UHFFFAOYSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;2,3,4-trimethylpentan-3-amine
CID 175160017
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CID 12660971
N-tert-butyl-2,3-dimethylbutan-2-amine
CID 59551528
2,3-dimethyl-2-(methylamino)butan-1-ol
CID 62488626
[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol
CID 142399787
N-(2,3-dimethylbutan-2-ylsulfamoyl)propanamide
CID 137470654
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-(ethylamino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 174847311
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylbutan-2-ylamino)methanol?
The IUPAC name of (2,3-dimethylbutan-2-ylamino)methanol (CID 54319920) is (2,3-dimethylbutan-2-ylamino)methanol.
What is the SMILES notation for (2,3-dimethylbutan-2-ylamino)methanol?
The canonical SMILES for (2,3-dimethylbutan-2-ylamino)methanol is CC(C)C(C)(C)NCO.
What is the InChIKey of (2,3-dimethylbutan-2-ylamino)methanol?
The InChIKey is XBLJMTJORYWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)7(3,4)8-5-9/h6,8-9H,5H2,1-4H3.
What are the key properties of (2,3-dimethylbutan-2-ylamino)methanol?
(2,3-dimethylbutan-2-ylamino)methanol has a molecular weight of 131.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylbutan-2-ylamino)methanol is sourced from PubChem (CID 54319920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).