(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine

C11H19N — CID 123361932

IUPAC(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine
SMILESC=CC(=N\C)/C(C)=C(/C)CCC
InChIInChI=1S/C11H19N/c1-6-8-9(3)10(4)11(7-2)12-5/h7H,2,6,8H2,1,3-5H3/b10-9-,12-11+
InChIKeyAHOLKKFEFUXDAE-XAZJVICWSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds4

About (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine

(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine (PubChem CID 123361932) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine
PubChem CID123361932
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine
SMILESC=CC(=N\C)/C(C)=C(/C)CCC
InChIInChI=1S/C11H19N/c1-6-8-9(3)10(4)11(7-2)12-5/h7H,2,6,8H2,1,3-5H3/b10-9-,12-11+
InChIKeyAHOLKKFEFUXDAE-XAZJVICWSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
ethene;(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144881
(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356073
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144882
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502

Frequently Asked Questions

What is the IUPAC name of (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine?
The IUPAC name of (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine (CID 123361932) is (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine is C=CC(=N\C)/C(C)=C(/C)CCC.
What is the InChIKey of (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine?
The InChIKey is AHOLKKFEFUXDAE-XAZJVICWSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-9(3)10(4)11(7-2)12-5/h7H,2,6,8H2,1,3-5H3/b10-9-,12-11+.
What are the key properties of (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine?
(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,4,5-trimethylocta-1,4-dien-3-imine is sourced from PubChem (CID 123361932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).