6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one

C12H26N2O — CID 142227704

IUPAC6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one
SMILESCCC(=O)C(CC(C)(C)C(C)C)NNC
InChIInChI=1S/C12H26N2O/c1-7-11(15)10(14-13-6)8-12(4,5)9(2)3/h9-10,13-14H,7-8H2,1-6H3
InChIKeyZCPKGEHIMDDSNE-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.13
Rot. Bonds7

About 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one

6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one (PubChem CID 142227704) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one.

Molecular Properties

Compound Name6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one
PubChem CID142227704
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one
SMILESCCC(=O)C(CC(C)(C)C(C)C)NNC
InChIInChI=1S/C12H26N2O/c1-7-11(15)10(14-13-6)8-12(4,5)9(2)3/h9-10,13-14H,7-8H2,1-6H3
InChIKeyZCPKGEHIMDDSNE-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.13
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

4-(tert-butylamino)-2,2,6,6,7-pentamethyloctan-3-one;methane
CID 157099721
2-(2,2,3-trimethylbutyl)propanedioic acid
CID 174849631
(4R)-4-(tert-butylamino)-6-methylheptan-3-one
CID 88965299
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
(3-methyloxiran-2-yl)methyl 2,4,4,5-tetramethylhexanoate
CID 91028828
4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
CID 166719655
1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one
CID 142239724
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
5,5-dimethyl-4-propan-2-ylhexan-3-one
CID 58124172
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768

Frequently Asked Questions

What is the IUPAC name of 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one?
The IUPAC name of 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one (CID 142227704) is 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one.
What is the SMILES notation for 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one?
The canonical SMILES for 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one is CCC(=O)C(CC(C)(C)C(C)C)NNC.
What is the InChIKey of 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one?
The InChIKey is ZCPKGEHIMDDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-7-11(15)10(14-13-6)8-12(4,5)9(2)3/h9-10,13-14H,7-8H2,1-6H3.
What are the key properties of 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one?
6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one has a molecular weight of 214.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7-trimethyl-4-(2-methylhydrazinyl)octan-3-one is sourced from PubChem (CID 142227704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).