(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one

C9H18N2O — CID 14786271

IUPAC(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
SMILESCN(C)/N=C/CC(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)6-7-10-11(4)5/h7H,6H2,1-5H3/b10-7+
InChIKeyLAHBVOYDAOIAJS-JXMROGBWSA-N
MW170.26 g/mol
LogP1.54
Rot. Bonds3

About (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one

(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one (PubChem CID 14786271) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
PubChem CID14786271
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
SMILESCN(C)/N=C/CC(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)6-7-10-11(4)5/h7H,6H2,1-5H3/b10-7+
InChIKeyLAHBVOYDAOIAJS-JXMROGBWSA-N
XLogP1.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one
CID 159070752
1-(2-hydroxyethylimino)-4,4-dimethylpentan-3-one
CID 139752198
(1E)-1-(dimethylhydrazinylidene)heptan-3-one
CID 14786269
4-(dimethylhydrazinylidene)butanoic acid
CID 91543570
N-[3-(dimethylhydrazinylidene)propylideneamino]-N-methylmethanamine
CID 89455824
1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62622965
1-[ethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 43794888
3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
CID 62051187
N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide
CID 139707468
N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide
CID 58992304
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one?
The IUPAC name of (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one (CID 14786271) is (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one.
What is the SMILES notation for (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one?
The canonical SMILES for (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one is CN(C)/N=C/CC(=O)C(C)(C)C.
What is the InChIKey of (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one?
The InChIKey is LAHBVOYDAOIAJS-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8(12)6-7-10-11(4)5/h7H,6H2,1-5H3/b10-7+.
What are the key properties of (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one?
(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one has a molecular weight of 170.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 14786271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).