(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine

C16H25N — CID 163765893

IUPAC(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine
SMILES[H]/N=C(\C=C)CCCCCC/C(C=C)=C/C=C/C
InChIInChI=1S/C16H25N/c1-4-7-12-15(5-2)13-10-8-9-11-14-16(17)6-3/h4-7,12,17H,2-3,8-11,13-14H2,1H3/b7-4+,15-12+,17-16+
InChIKeyMCGAFTFUCPAQOX-DPLHOKKLSA-N
MW231.38 g/mol
LogP5.22
Rot. Bonds10

About (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine

(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine (PubChem CID 163765893) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine.

Molecular Properties

Compound Name(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine
PubChem CID163765893
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine
SMILES[H]/N=C(\C=C)CCCCCC/C(C=C)=C/C=C/C
InChIInChI=1S/C16H25N/c1-4-7-12-15(5-2)13-10-8-9-11-14-16(17)6-3/h4-7,12,17H,2-3,8-11,13-14H2,1H3/b7-4+,15-12+,17-16+
InChIKeyMCGAFTFUCPAQOX-DPLHOKKLSA-N
XLogP5.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
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CID 91334136
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
2,3,4,5-Tetrapropylcyclopenta-2,4-dien-1-imine
CID 134993711
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
CID 143814371
(5Z,7E)-8-fluoro-5-methylnona-5,7-dien-4-imine
CID 168202065
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
3,5,6,7-Tetrahydroinden-4-imine
CID 57171416
1,4-Dihydroinden-2-imine
CID 57172893
2-Cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-imine
CID 57208179
2,30-Dimethylhentriaconta-2,29-diene-6,26-diimine
CID 58149349

Frequently Asked Questions

What is the IUPAC name of (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine?
The IUPAC name of (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine (CID 163765893) is (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine.
What is the SMILES notation for (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine?
The canonical SMILES for (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine is [H]/N=C(\C=C)CCCCCC/C(C=C)=C/C=C/C.
What is the InChIKey of (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine?
The InChIKey is MCGAFTFUCPAQOX-DPLHOKKLSA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-12-15(5-2)13-10-8-9-11-14-16(17)6-3/h4-7,12,17H,2-3,8-11,13-14H2,1H3/b7-4+,15-12+,17-16+.
What are the key properties of (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine?
(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine has a molecular weight of 231.38 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine is sourced from PubChem (CID 163765893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).