4-N,9-dimethyldeca-2,7-diene-1,4-diimine

C12H20N2 — CID 123259885

IUPAC4-N,9-dimethyldeca-2,7-diene-1,4-diimine
SMILES[H]/N=C/C=C/C(CCC=CC(C)C)=N\C
InChIInChI=1S/C12H20N2/c1-11(2)7-4-5-8-12(14-3)9-6-10-13/h4,6-7,9-11,13H,5,8H2,1-3H3/b7-4?,9-6?,13-10+,14-12-
InChIKeyPCTYHYYXGAXIIB-VHQYEFPUSA-N
MW192.31 g/mol
LogP3.26
Rot. Bonds6

About 4-N,9-dimethyldeca-2,7-diene-1,4-diimine

4-N,9-dimethyldeca-2,7-diene-1,4-diimine (PubChem CID 123259885) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-N,9-dimethyldeca-2,7-diene-1,4-diimine.

Molecular Properties

Compound Name4-N,9-dimethyldeca-2,7-diene-1,4-diimine
PubChem CID123259885
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-N,9-dimethyldeca-2,7-diene-1,4-diimine
SMILES[H]/N=C/C=C/C(CCC=CC(C)C)=N\C
InChIInChI=1S/C12H20N2/c1-11(2)7-4-5-8-12(14-3)9-6-10-13/h4,6-7,9-11,13H,5,8H2,1-3H3/b7-4?,9-6?,13-10+,14-12-
InChIKeyPCTYHYYXGAXIIB-VHQYEFPUSA-N
XLogP3.26
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.26
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

1-(2-Ethylpyrrol-2-yl)ethanimine
CID 57211117
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(Z)-3-methyloct-5-ene-1,7-diimine
CID 90709896
3,3-dimethyl-2H-azepin-6-imine
CID 90915516
3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
CID 90957874
(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
CID 91216602
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanimine
CID 91543347
(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine
CID 122450897
(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine
CID 122535934
(Z)-1-N-methylpent-3-ene-1,2-diimine
CID 123260157
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124

Frequently Asked Questions

What is the IUPAC name of 4-N,9-dimethyldeca-2,7-diene-1,4-diimine?
The IUPAC name of 4-N,9-dimethyldeca-2,7-diene-1,4-diimine (CID 123259885) is 4-N,9-dimethyldeca-2,7-diene-1,4-diimine.
What is the SMILES notation for 4-N,9-dimethyldeca-2,7-diene-1,4-diimine?
The canonical SMILES for 4-N,9-dimethyldeca-2,7-diene-1,4-diimine is [H]/N=C/C=C/C(CCC=CC(C)C)=N\C.
What is the InChIKey of 4-N,9-dimethyldeca-2,7-diene-1,4-diimine?
The InChIKey is PCTYHYYXGAXIIB-VHQYEFPUSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2)7-4-5-8-12(14-3)9-6-10-13/h4,6-7,9-11,13H,5,8H2,1-3H3/b7-4?,9-6?,13-10+,14-12-.
What are the key properties of 4-N,9-dimethyldeca-2,7-diene-1,4-diimine?
4-N,9-dimethyldeca-2,7-diene-1,4-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,9-dimethyldeca-2,7-diene-1,4-diimine is sourced from PubChem (CID 123259885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).