6-ethyl-4,7-dimethyloct-7-en-2-imine

C12H23N — CID 123222470

IUPAC6-ethyl-4,7-dimethyloct-7-en-2-imine
SMILES[H]/N=C(\C)CC(C)CC(CC)C(=C)C
InChIInChI=1S/C12H23N/c1-6-12(9(2)3)8-10(4)7-11(5)13/h10,12-13H,2,6-8H2,1,3-5H3/b13-11+
InChIKeyHGUPVKWBBRUVPT-ACCUITESSA-N
MW181.32 g/mol
LogP4.04
Rot. Bonds6

About 6-ethyl-4,7-dimethyloct-7-en-2-imine

6-ethyl-4,7-dimethyloct-7-en-2-imine (PubChem CID 123222470) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6-ethyl-4,7-dimethyloct-7-en-2-imine.

Molecular Properties

Compound Name6-ethyl-4,7-dimethyloct-7-en-2-imine
PubChem CID123222470
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6-ethyl-4,7-dimethyloct-7-en-2-imine
SMILES[H]/N=C(\C)CC(C)CC(CC)C(=C)C
InChIInChI=1S/C12H23N/c1-6-12(9(2)3)8-10(4)7-11(5)13/h10,12-13H,2,6-8H2,1,3-5H3/b13-11+
InChIKeyHGUPVKWBBRUVPT-ACCUITESSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-Fluoro-3-methyl-2-methylidenecycloheptan-1-imine
CID 124032830
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
(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
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
2,5-Dimethylhept-1-en-3-imine
CID 91222633
4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
CID 91435545
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,7-dimethyloct-7-en-2-imine?
The IUPAC name of 6-ethyl-4,7-dimethyloct-7-en-2-imine (CID 123222470) is 6-ethyl-4,7-dimethyloct-7-en-2-imine.
What is the SMILES notation for 6-ethyl-4,7-dimethyloct-7-en-2-imine?
The canonical SMILES for 6-ethyl-4,7-dimethyloct-7-en-2-imine is [H]/N=C(\C)CC(C)CC(CC)C(=C)C.
What is the InChIKey of 6-ethyl-4,7-dimethyloct-7-en-2-imine?
The InChIKey is HGUPVKWBBRUVPT-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-6-12(9(2)3)8-10(4)7-11(5)13/h10,12-13H,2,6-8H2,1,3-5H3/b13-11+.
What are the key properties of 6-ethyl-4,7-dimethyloct-7-en-2-imine?
6-ethyl-4,7-dimethyloct-7-en-2-imine has a molecular weight of 181.32 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,7-dimethyloct-7-en-2-imine is sourced from PubChem (CID 123222470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).