4-(dimethylhydrazinylidene)-3-methylhexan-3-ol

C9H20N2O — CID 129086688

IUPAC4-(dimethylhydrazinylidene)-3-methylhexan-3-ol
SMILESCCC(=NN(C)C)C(C)(O)CC
InChIInChI=1S/C9H20N2O/c1-6-8(10-11(4)5)9(3,12)7-2/h12H,6-7H2,1-5H3
InChIKeyUDKJPOFNNAAWNC-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.48
Rot. Bonds4

About 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol

4-(dimethylhydrazinylidene)-3-methylhexan-3-ol (PubChem CID 129086688) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol.

Molecular Properties

Compound Name4-(dimethylhydrazinylidene)-3-methylhexan-3-ol
PubChem CID129086688
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(dimethylhydrazinylidene)-3-methylhexan-3-ol
SMILESCCC(=NN(C)C)C(C)(O)CC
InChIInChI=1S/C9H20N2O/c1-6-8(10-11(4)5)9(3,12)7-2/h12H,6-7H2,1-5H3
InChIKeyUDKJPOFNNAAWNC-UHFFFAOYSA-N
XLogP1.48
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
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

3-methyl-2-methyliminopentan-3-ol;neodymium
CID 153491898
3-methyl-2-methyliminopentan-3-ol;scandium
CID 153491697
(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol
CID 3037406
2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid
CID 114494902
2-hydroxy-2-methylbutanethioyl iodide
CID 162097418
2-[amino(methyl)amino]butan-2-ol
CID 142701934
4-(dimethylhydrazinylidene)-3-ethylhexan-3-ol;4-(dimethylhydrazinylidene)-3-methylhexan-3-ol;3-(dimethylhydrazinylidene)-2-methylpentan-2-ol;3-(dimethylhydrazinylidene)-2-trimethylsilylpentan-2-ol;4-ethylimino-3-methylhex-1-en-3-ol;3-ethyl-2-methyl-4-propan-2-yliminohexan-3-ol;3-ethyl-4-propan-2-yliminohexan-3-ol;3-methyl-4-propan-2-yliminohex-1-en-3-ol;2-methyl-3-propan-2-yl-4-propan-2-yliminohexan-3-ol;3-propan-2-ylimino-2-triethylsilylpentan-2-ol;3-propan-2-ylimino-2-trimethylsilylpentan-2-ol
CID 158063467
2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 155014494
(6E)-6-(dimethylhydrazinylidene)-2,3-dimethylheptan-3-ol
CID 14824858
azane;3-methylpentan-3-ol
CID 87107560
methanamine;2-methylbutan-2-ol
CID 142079467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol?
The IUPAC name of 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol (CID 129086688) is 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol.
What is the SMILES notation for 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol?
The canonical SMILES for 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol is CCC(=NN(C)C)C(C)(O)CC.
What is the InChIKey of 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol?
The InChIKey is UDKJPOFNNAAWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-8(10-11(4)5)9(3,12)7-2/h12H,6-7H2,1-5H3.
What are the key properties of 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol?
4-(dimethylhydrazinylidene)-3-methylhexan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylhydrazinylidene)-3-methylhexan-3-ol is sourced from PubChem (CID 129086688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).