4-amino-3,3-dimethylbutan-2-ol

C6H15NO — CID 65394659

IUPAC4-amino-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN
InChIInChI=1S/C6H15NO/c1-5(8)6(2,3)4-7/h5,8H,4,7H2,1-3H3
InChIKeyJFRFVXRCBRHLBX-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-3,3-dimethylbutan-2-ol

4-amino-3,3-dimethylbutan-2-ol (PubChem CID 65394659) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-amino-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethylbutan-2-ol
PubChem CID65394659
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-amino-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN
InChIInChI=1S/C6H15NO/c1-5(8)6(2,3)4-7/h5,8H,4,7H2,1-3H3
InChIKeyJFRFVXRCBRHLBX-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-3,3-dimethylbutan-2-ol
CID 12497732
1-Propanol, 3-amino-2,2-dimethyl-
CID 117326
2-Butanol, 4-amino-
CID 170254
(2R)-4-aminobutan-2-ol
CID 7019380
(2S)-4-aminobutan-2-ol
CID 7853263
2-(Aminomethyl)-2-methylbutan-1-ol
CID 20461810
4-Amino-3,3-dimethylbutan-1-ol
CID 55290156
3-(Aminomethyl)-3-methylpentan-2-ol
CID 65394245
(2S)-1-amino-3,3-dimethylbutan-2-ol hydrochloride
CID 91654401
(2R)-1-amino-3,3-dimethylbutan-2-ol hydrochloride
CID 137838100
(3S)-1-amino-4,4-dimethylpentan-3-ol
CID 93618867
4-Amino-3-methylbutan-2-ol
CID 13396323

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-amino-3,3-dimethylbutan-2-ol (CID 65394659) is 4-amino-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-amino-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-amino-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN.
What is the InChIKey of 4-amino-3,3-dimethylbutan-2-ol?
The InChIKey is JFRFVXRCBRHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(8)6(2,3)4-7/h5,8H,4,7H2,1-3H3.
What are the key properties of 4-amino-3,3-dimethylbutan-2-ol?
4-amino-3,3-dimethylbutan-2-ol has a molecular weight of 117.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 65394659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).