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

C6H15NO — CID 18546555

IUPAC1-amino-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(N)O
InChIInChI=1S/C6H15NO/c1-4-6(2,3)5(7)8/h5,8H,4,7H2,1-3H3
InChIKeySIRLHVXHXKOAIY-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.70
Rot. Bonds2

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

1-amino-2,2-dimethylbutan-1-ol (PubChem CID 18546555) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-amino-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-amino-2,2-dimethylbutan-1-ol
PubChem CID18546555
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-amino-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(N)O
InChIInChI=1S/C6H15NO/c1-4-6(2,3)5(7)8/h5,8H,4,7H2,1-3H3
InChIKeySIRLHVXHXKOAIY-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
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

1-Amino-2,2-dimethyl-1-propanol
CID 3016233
2-(Aminomethyl)-2-ethylbutan-1-ol
CID 22379501
2-(Aminomethyl)-2-methylbutan-1-ol
CID 20461810
4-Amino-2,2-dimethylbutan-1-ol
CID 55253832
4-Amino-3,3-dimethylbutan-1-ol
CID 55290156
4-Amino-3,3-dimethylbutan-2-ol
CID 65394659
2-(Aminomethyl)-2,3-dimethylbutan-1-ol
CID 83815040
4-Amino-2,2-dimethylbutan-1-ol hydrochloride
CID 87601111
1-Aminobutan-1-ol
CID 12598244
(S)-1-Aminobutan-1-ol
CID 55289346
(1R)-1-Aminobutan-1-ol
CID 71406086
1-Amino-3-fluoro-3-methylbutan-1-ol
CID 154059265

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-amino-2,2-dimethylbutan-1-ol (CID 18546555) is 1-amino-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-amino-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-amino-2,2-dimethylbutan-1-ol is CCC(C)(C)C(N)O.
What is the InChIKey of 1-amino-2,2-dimethylbutan-1-ol?
The InChIKey is SIRLHVXHXKOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-4-6(2,3)5(7)8/h5,8H,4,7H2,1-3H3.
What are the key properties of 1-amino-2,2-dimethylbutan-1-ol?
1-amino-2,2-dimethylbutan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 18546555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).