N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine

C18H23N — CID 142385260

IUPACN-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine
SMILESC=C/C=C\C(=C/C)C(=C)C=C(N=C)/C(C=C)=C/CC
InChIInChI=1S/C18H23N/c1-7-11-13-16(9-3)15(5)14-18(19-6)17(10-4)12-8-2/h7,9-14H,1,4-6,8H2,2-3H3/b13-11-,16-9+,17-12+,18-14-
InChIKeyYMYLDTHCNZRTSB-LAPJSIFVSA-N
MW253.39 g/mol
LogP5.34
Rot. Bonds8

About N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine

N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine (PubChem CID 142385260) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine
PubChem CID142385260
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine
SMILESC=C/C=C\C(=C/C)C(=C)C=C(N=C)/C(C=C)=C/CC
InChIInChI=1S/C18H23N/c1-7-11-13-16(9-3)15(5)14-18(19-6)17(10-4)12-8-2/h7,9-14H,1,4-6,8H2,2-3H3/b13-11-,16-9+,17-12+,18-14-
InChIKeyYMYLDTHCNZRTSB-LAPJSIFVSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.34
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

N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(Z,4E)-4-(2-fluorocyclohexa-2,4-dien-1-ylidene)pent-2-en-2-yl]methanimine
CID 145509789
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
CID 175614207
N-[1-[4-(3-fluoropropyl)-9-methyl-8H-benzo[7]annulen-5-yl]ethenyl]methanimine
CID 168197142
N-(2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 89001015

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine?
The IUPAC name of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine (CID 142385260) is N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine.
What is the SMILES notation for N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine?
The canonical SMILES for N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine is C=C/C=C\C(=C/C)C(=C)C=C(N=C)/C(C=C)=C/CC.
What is the InChIKey of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine?
The InChIKey is YMYLDTHCNZRTSB-LAPJSIFVSA-N. The full InChI is InChI=1S/C18H23N/c1-7-11-13-16(9-3)15(5)14-18(19-6)17(10-4)12-8-2/h7,9-14H,1,4-6,8H2,2-3H3/b13-11-,16-9+,17-12+,18-14-.
What are the key properties of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine?
N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine has a molecular weight of 253.39 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine is sourced from PubChem (CID 142385260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).