2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine

C11H24N3O- — CID 163604950

IUPAC2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine
SMILESCCC(C)(CC)/N=N/N([O-])C(C)(C)CC
InChIInChI=1S/C11H24N3O/c1-7-10(4,5)14(15)13-12-11(6,8-2)9-3/h7-9H2,1-6H3/q-1/b13-12+
InChIKeySPMSANCMHWSWIM-OUKQBFOZSA-N
MW214.33 g/mol
LogP3.92
Rot. Bonds6

About 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine

2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine (PubChem CID 163604950) has the molecular formula C11H24N3O- and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine
PubChem CID163604950
Molecular FormulaC11H24N3O-
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine
SMILESCCC(C)(CC)/N=N/N([O-])C(C)(C)CC
InChIInChI=1S/C11H24N3O/c1-7-10(4,5)14(15)13-12-11(6,8-2)9-3/h7-9H2,1-6H3/q-1/b13-12+
InChIKeySPMSANCMHWSWIM-OUKQBFOZSA-N
XLogP3.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
CID 163431704
CID 101012974
CID 101012974
N-iodo-N,2-dimethylbutan-2-amine
CID 154548440
3,6-diisocyanato-3,6-dimethyloctane
CID 20528064
2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
CID 91586029
N,2-dimethyl-N-methylsulfanylbutan-2-amine
CID 168917994
N-tert-butyl-N-ethyl-2-methylbutan-2-amine
CID 149170814
N-(3-methyl-2-oxopentan-3-yl)-N-oxidonitrous amide
CID 11499391
2,2-dimethylpropane;trihydrate
CID 172866132
magnesium;2,2-dimethylpropane;ethanolate
CID 174810473
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
2-[ethyl(sulfinato)amino]-2-methylbutane
CID 57321721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine?
The IUPAC name of 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine (CID 163604950) is 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine?
The canonical SMILES for 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine is CCC(C)(CC)/N=N/N([O-])C(C)(C)CC.
What is the InChIKey of 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine?
The InChIKey is SPMSANCMHWSWIM-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H24N3O/c1-7-10(4,5)14(15)13-12-11(6,8-2)9-3/h7-9H2,1-6H3/q-1/b13-12+.
What are the key properties of 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine?
2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine is sourced from PubChem (CID 163604950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).