5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide

C12H27N3O — CID 76912512

IUPAC5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCC(N(C)CCCCC(N)=NO)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-10(12(2,3)4)15(5)9-7-6-8-11(13)14-16/h10,16H,6-9H2,1-5H3,(H2,13,14)
InChIKeyVKGGGDCCWSQLJA-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.27
Rot. Bonds6

About 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide

5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide (PubChem CID 76912512) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
PubChem CID76912512
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCC(N(C)CCCCC(N)=NO)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-10(12(2,3)4)15(5)9-7-6-8-11(13)14-16/h10,16H,6-9H2,1-5H3,(H2,13,14)
InChIKeyVKGGGDCCWSQLJA-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062077
5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
CID 63585409
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 43569199
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 76912505
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
CID 55006991
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide (CID 76912512) is 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide is CC(N(C)CCCCC(N)=NO)C(C)(C)C.
What is the InChIKey of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is VKGGGDCCWSQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(12(2,3)4)15(5)9-7-6-8-11(13)14-16/h10,16H,6-9H2,1-5H3,(H2,13,14).
What are the key properties of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide?
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 76912512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).