N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine

C13H19N — CID 155337310

IUPACN-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
SMILESC=C/C=C(\C=C)C(C)(C)/C(=C/C)N=C
InChIInChI=1S/C13H19N/c1-7-10-11(8-2)13(4,5)12(9-3)14-6/h7-10H,1-2,6H2,3-5H3/b11-10+,12-9-
InChIKeyLXZYDXKEBFPEFX-MWOVLNQWSA-N
MW189.30 g/mol
LogP3.92
Rot. Bonds5

About N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine

N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine (PubChem CID 155337310) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
PubChem CID155337310
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
SMILESC=C/C=C(\C=C)C(C)(C)/C(=C/C)N=C
InChIInChI=1S/C13H19N/c1-7-10-11(8-2)13(4,5)12(9-3)14-6/h7-10H,1-2,6H2,3-5H3/b11-10+,12-9-
InChIKeyLXZYDXKEBFPEFX-MWOVLNQWSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.92
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)-2-methyl-3-(methylideneamino)pent-3-en-2-ol
CID 144712771
(3E)-3-tert-butylhexa-1,3,5-triene;ethane;prop-1-ene;prop-1-yne
CID 143035857
N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
CID 126494567
(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 143141302
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine
CID 129033725
[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
CID 134462409

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine?
The IUPAC name of N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine (CID 155337310) is N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine.
What is the SMILES notation for N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine?
The canonical SMILES for N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine is C=C/C=C(\C=C)C(C)(C)/C(=C/C)N=C.
What is the InChIKey of N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine?
The InChIKey is LXZYDXKEBFPEFX-MWOVLNQWSA-N. The full InChI is InChI=1S/C13H19N/c1-7-10-11(8-2)13(4,5)12(9-3)14-6/h7-10H,1-2,6H2,3-5H3/b11-10+,12-9-.
What are the key properties of N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine?
N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine has a molecular weight of 189.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine is sourced from PubChem (CID 155337310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).