N,N-dihydroxy-3,3-dimethylbutan-1-amine

C6H15NO2 — CID 118571145

IUPACN,N-dihydroxy-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCN(O)O
InChIInChI=1S/C6H15NO2/c1-6(2,3)4-5-7(8)9/h8-9H,4-5H2,1-3H3
InChIKeyHAVWIVOZPUVYIL-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.50
Rot. Bonds2

About N,N-dihydroxy-3,3-dimethylbutan-1-amine

N,N-dihydroxy-3,3-dimethylbutan-1-amine (PubChem CID 118571145) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is N,N-dihydroxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN,N-dihydroxy-3,3-dimethylbutan-1-amine
PubChem CID118571145
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC NameN,N-dihydroxy-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCN(O)O
InChIInChI=1S/C6H15NO2/c1-6(2,3)4-5-7(8)9/h8-9H,4-5H2,1-3H3
InChIKeyHAVWIVOZPUVYIL-UHFFFAOYSA-N
XLogP1.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-N-phosphanylpropanamide
CID 143596232
[3,3-dimethylbutyl(methyl)amino]methanethiol
CID 115228352
4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobut-2-enoic acid
CID 123351536
N'-(3,3-dimethylbutyl)-N'-methyloxamide
CID 115192175
2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol
CID 142493286
N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 20793028
N-(4,4-dimethylpentyl)-N-hydroxypropanamide
CID 130258071
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760
N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine
CID 143354901
N-tert-butyl-N-ethenyl-3,3-dimethylbutan-1-amine
CID 144774483
(Z)-4-[3,3-dimethylbutyl(2-methylbutan-2-yl)amino]-4-oxobut-2-enoic acid
CID 166827866
3,3-dimethylbutan-1-ol;ethane
CID 155708762

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-3,3-dimethylbutan-1-amine?
The IUPAC name of N,N-dihydroxy-3,3-dimethylbutan-1-amine (CID 118571145) is N,N-dihydroxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N,N-dihydroxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for N,N-dihydroxy-3,3-dimethylbutan-1-amine is CC(C)(C)CCN(O)O.
What is the InChIKey of N,N-dihydroxy-3,3-dimethylbutan-1-amine?
The InChIKey is HAVWIVOZPUVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(2,3)4-5-7(8)9/h8-9H,4-5H2,1-3H3.
What are the key properties of N,N-dihydroxy-3,3-dimethylbutan-1-amine?
N,N-dihydroxy-3,3-dimethylbutan-1-amine has a molecular weight of 133.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 118571145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).