4-amino-3,3-dimethylbutan-1-ol

C6H15NO — CID 55290156

IUPAC4-amino-3,3-dimethylbutan-1-ol
SMILESCC(C)(CN)CCO
InChIInChI=1S/C6H15NO/c1-6(2,5-7)3-4-8/h8H,3-5,7H2,1-2H3
InChIKeyINBMMXYCODJFAA-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.35
Rot. Bonds3

About 4-amino-3,3-dimethylbutan-1-ol

4-amino-3,3-dimethylbutan-1-ol (PubChem CID 55290156) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-amino-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethylbutan-1-ol
PubChem CID55290156
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-amino-3,3-dimethylbutan-1-ol
SMILESCC(C)(CN)CCO
InChIInChI=1S/C6H15NO/c1-6(2,5-7)3-4-8/h8H,3-5,7H2,1-2H3
InChIKeyINBMMXYCODJFAA-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

6-amino-3,3-dimethylhexan-1-ol
CID 134232147
3,4-diamino-3-methylbutan-1-ol
CID 150597042
2,2-dimethylpropane-1,3-diamine
CID 162099967
3-amino-3-methylbutan-1-ol
CID 641000
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644
4-dimethylsilyl-2,2-dimethylbutan-1-amine
CID 150831427
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
6-amino-1-hydroxy-5,5-dimethylhexan-3-one
CID 157367139
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-amino-3,3-dimethylbutan-1-ol (CID 55290156) is 4-amino-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-amino-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-amino-3,3-dimethylbutan-1-ol is CC(C)(CN)CCO.
What is the InChIKey of 4-amino-3,3-dimethylbutan-1-ol?
The InChIKey is INBMMXYCODJFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2,5-7)3-4-8/h8H,3-5,7H2,1-2H3.
What are the key properties of 4-amino-3,3-dimethylbutan-1-ol?
4-amino-3,3-dimethylbutan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.35, 3 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-1-ol is sourced from PubChem (CID 55290156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).