N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane

C12H26N4O — CID 142311021

IUPACN'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane
SMILESCC.[H]/N=N/C(=N\N)C(C)(C)CCC(=O)C(C)C
InChIInChI=1S/C10H20N4O.C2H6/c1-7(2)8(15)5-6-10(3,4)9(13-11)14-12;1-2/h7,11H,5-6,12H2,1-4H3;1-2H3/b13-11+,14-9-;
InChIKeyQWMSZMIKPZNZTL-TXXMJRAPSA-N
MW242.37 g/mol
LogP3.35
Rot. Bonds5

About N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane

N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane (PubChem CID 142311021) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane.

Molecular Properties

Compound NameN'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane
PubChem CID142311021
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane
SMILESCC.[H]/N=N/C(=N\N)C(C)(C)CCC(=O)C(C)C
InChIInChI=1S/C10H20N4O.C2H6/c1-7(2)8(15)5-6-10(3,4)9(13-11)14-12;1-2/h7,11H,5-6,12H2,1-4H3;1-2H3/b13-11+,14-9-;
InChIKeyQWMSZMIKPZNZTL-TXXMJRAPSA-N
XLogP3.35
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,6,6,7-tetramethyloctan-3-one
CID 155625283
7-hydroxy-2,6,6-trimethylheptan-3-one
CID 159974911
N-imino-4,4-dimethylpentanamide
CID 118964364
1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
CID 134294536
2-methylheptan-3-one;hydrate
CID 176897102
6-bromo-2-methylhexan-3-one
CID 12643721
(3S)-3-amino-2,7,7-trimethyloctan-4-one
CID 89201643
2-methylhexadecan-3-one
CID 58030381
9-methyl-8-oxodecanamide
CID 168891746
6-hydroxy-2,4,4-trimethylhexan-3-one
CID 11615211
(2S)-2-diazenylpropanamide
CID 88574681
2,5,5-trimethylundecane-3,6-dione
CID 87629470

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane?
The IUPAC name of N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane (CID 142311021) is N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane.
What is the SMILES notation for N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane?
The canonical SMILES for N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane is CC.[H]/N=N/C(=N\N)C(C)(C)CCC(=O)C(C)C.
What is the InChIKey of N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane?
The InChIKey is QWMSZMIKPZNZTL-TXXMJRAPSA-N. The full InChI is InChI=1S/C10H20N4O.C2H6/c1-7(2)8(15)5-6-10(3,4)9(13-11)14-12;1-2/h7,11H,5-6,12H2,1-4H3;1-2H3/b13-11+,14-9-;.
What are the key properties of N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane?
N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane has a molecular weight of 242.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-imino-2,2,6-trimethyl-5-oxoheptanimidamide;ethane is sourced from PubChem (CID 142311021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).