3-amino-2,2-dimethylbutan-1-ol

C6H15NO — CID 55290158

IUPAC3-amino-2,2-dimethylbutan-1-ol
SMILESCC(N)C(C)(C)CO
InChIInChI=1S/C6H15NO/c1-5(7)6(2,3)4-8/h5,8H,4,7H2,1-3H3
InChIKeyLPYUXUILCKAQSG-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.35
Rot. Bonds2

About 3-amino-2,2-dimethylbutan-1-ol

3-amino-2,2-dimethylbutan-1-ol (PubChem CID 55290158) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-amino-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethylbutan-1-ol
PubChem CID55290158
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-amino-2,2-dimethylbutan-1-ol
SMILESCC(N)C(C)(C)CO
InChIInChI=1S/C6H15NO/c1-5(7)6(2,3)4-8/h5,8H,4,7H2,1-3H3
InChIKeyLPYUXUILCKAQSG-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

L-Valinol
CID 640993
3-Aminobutan-1-ol
CID 12202791
Valinol
CID 79019
(2S)-2-Amino-3,3-dimethyl-1-butanol
CID 2734079
(3R)-3-Amino-1-butanol
CID 9898801
2-Amino-3,3-dimethylbutan-1-ol
CID 4149212
D-Valinol
CID 6950587
(2R)-2-Amino-3,3-dimethylbutan-1-ol
CID 6932847
(3S)-3-aminobutan-1-ol
CID 9942121
3-Amino-2-methylbutan-1-ol
CID 12542086
3-Amino-2,2,4-trimethylpentan-1-ol
CID 20384478
2-(Aminomethyl)-2-methylbutan-1-ol
CID 20461810

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylbutan-1-ol?
The IUPAC name of 3-amino-2,2-dimethylbutan-1-ol (CID 55290158) is 3-amino-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethylbutan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethylbutan-1-ol is CC(N)C(C)(C)CO.
What is the InChIKey of 3-amino-2,2-dimethylbutan-1-ol?
The InChIKey is LPYUXUILCKAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(7)6(2,3)4-8/h5,8H,4,7H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethylbutan-1-ol?
3-amino-2,2-dimethylbutan-1-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 3-amino-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 55290158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).