(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine

C14H19N — CID 145480541

IUPAC(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
SMILESC=C(/C=C\C(=C)C(=C)/C=N/C(=C)C)CC
InChIInChI=1S/C14H19N/c1-7-12(4)8-9-13(5)14(6)10-15-11(2)3/h8-10H,2,4-7H2,1,3H3/b9-8-,15-10+
InChIKeyBOVOHYPKCGMZTR-ABRUBGJPSA-N
MW201.31 g/mol
LogP4.23
Rot. Bonds6

About (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine

(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine (PubChem CID 145480541) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine.

Molecular Properties

Compound Name(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
PubChem CID145480541
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
SMILESC=C(/C=C\C(=C)C(=C)/C=N/C(=C)C)CC
InChIInChI=1S/C14H19N/c1-7-12(4)8-9-13(5)14(6)10-15-11(2)3/h8-10H,2,4-7H2,1,3H3/b9-8-,15-10+
InChIKeyBOVOHYPKCGMZTR-ABRUBGJPSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
N-[(4Z)-6-methoxy-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylidenebutan-1-imine;propane
CID 142282580
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine?
The IUPAC name of (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine (CID 145480541) is (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine.
What is the SMILES notation for (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine?
The canonical SMILES for (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine is C=C(/C=C\C(=C)C(=C)/C=N/C(=C)C)CC.
What is the InChIKey of (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine?
The InChIKey is BOVOHYPKCGMZTR-ABRUBGJPSA-N. The full InChI is InChI=1S/C14H19N/c1-7-12(4)8-9-13(5)14(6)10-15-11(2)3/h8-10H,2,4-7H2,1,3H3/b9-8-,15-10+.
What are the key properties of (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine?
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine has a molecular weight of 201.31 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine is sourced from PubChem (CID 145480541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).