4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine

C14H26N2 — CID 91435545

IUPAC4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
SMILES[H]/N=C(CC)/C(CC(C)C(=C)C)=N\C(C)CC
InChIInChI=1S/C14H26N2/c1-7-12(6)16-14(13(15)8-2)9-11(5)10(3)4/h11-12,15H,3,7-9H2,1-2,4-6H3/b15-13+,16-14-
InChIKeyAVSLWODDJAAABI-ZNOBWPMYSA-N
MW222.38 g/mol
LogP4.26
Rot. Bonds7

About 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine

4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine (PubChem CID 91435545) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine.

Molecular Properties

Compound Name4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
PubChem CID91435545
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
SMILES[H]/N=C(CC)/C(CC(C)C(=C)C)=N\C(C)CC
InChIInChI=1S/C14H26N2/c1-7-12(6)16-14(13(15)8-2)9-11(5)10(3)4/h11-12,15H,3,7-9H2,1-2,4-6H3/b15-13+,16-14-
InChIKeyAVSLWODDJAAABI-ZNOBWPMYSA-N
XLogP4.26
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine with MolForge

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Related Compounds

7-(Fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
CID 137400838
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
CID 143491190
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
CID 91394984
8-Imino-7,9-dimethyldec-9-en-2-amine
CID 91580309
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
2-N,3-dimethyl-7-methylidenenonane-2,4-diimine
CID 123353686
6-Methyl-7-methylidenecycloundecan-1-imine
CID 123369621
N-ethyl-3,6,7-trimethyloct-7-en-4-imine
CID 123411082
N,2,4-trimethyloct-1-en-3-imine
CID 123513691

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine?
The IUPAC name of 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine (CID 91435545) is 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine.
What is the SMILES notation for 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine?
The canonical SMILES for 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine is [H]/N=C(CC)/C(CC(C)C(=C)C)=N\C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine?
The InChIKey is AVSLWODDJAAABI-ZNOBWPMYSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-12(6)16-14(13(15)8-2)9-11(5)10(3)4/h11-12,15H,3,7-9H2,1-2,4-6H3/b15-13+,16-14-.
What are the key properties of 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine?
4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine has a molecular weight of 222.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine is sourced from PubChem (CID 91435545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).