2-N,3-dimethyl-7-methylidenenonane-2,4-diimine

C12H22N2 — CID 123353686

IUPAC2-N,3-dimethyl-7-methylidenenonane-2,4-diimine
SMILES[H]/N=C(\CCC(=C)CC)C(C)/C(C)=N/C
InChIInChI=1S/C12H22N2/c1-6-9(2)7-8-12(13)10(3)11(4)14-5/h10,13H,2,6-8H2,1,3-5H3/b13-12+,14-11+
InChIKeyXZJDFKVTNQGTPQ-UIGAKZAYSA-N
MW194.32 g/mol
LogP3.48
Rot. Bonds6

About 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine

2-N,3-dimethyl-7-methylidenenonane-2,4-diimine (PubChem CID 123353686) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine.

Molecular Properties

Compound Name2-N,3-dimethyl-7-methylidenenonane-2,4-diimine
PubChem CID123353686
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N,3-dimethyl-7-methylidenenonane-2,4-diimine
SMILES[H]/N=C(\CCC(=C)CC)C(C)/C(C)=N/C
InChIInChI=1S/C12H22N2/c1-6-9(2)7-8-12(13)10(3)11(4)14-5/h10,13H,2,6-8H2,1,3-5H3/b13-12+,14-11+
InChIKeyXZJDFKVTNQGTPQ-UIGAKZAYSA-N
XLogP3.48
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
CID 155158155
10-Fluoro-2-methyl-4-methylideneundecane-3,6-diimine
CID 155158434
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
CID 143491190
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
(4,8,10-Trimethylundec-8-en-3-ylideneamino)methanamine
CID 91397502
4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
CID 91435545
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
3-Methyl-5-methylideneheptan-2-imine
CID 123288208

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine?
The IUPAC name of 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine (CID 123353686) is 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine.
What is the SMILES notation for 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine?
The canonical SMILES for 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine is [H]/N=C(\CCC(=C)CC)C(C)/C(C)=N/C.
What is the InChIKey of 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine?
The InChIKey is XZJDFKVTNQGTPQ-UIGAKZAYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-9(2)7-8-12(13)10(3)11(4)14-5/h10,13H,2,6-8H2,1,3-5H3/b13-12+,14-11+.
What are the key properties of 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine?
2-N,3-dimethyl-7-methylidenenonane-2,4-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-7-methylidenenonane-2,4-diimine is sourced from PubChem (CID 123353686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).