(2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine

C18H29N — CID 154931337

IUPAC(2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine
SMILESC/C=C(\C=C/C(=C\C)/C(C)=C/C=N/C(C)C)CCC
InChIInChI=1S/C18H29N/c1-7-10-17(8-2)11-12-18(9-3)16(6)13-14-19-15(4)5/h8-9,11-15H,7,10H2,1-6H3/b12-11-,16-13+,17-8-,18-9+,19-14+
InChIKeyMCOJLMBGNCMXBD-JEBFNJNHSA-N
MW259.44 g/mol
LogP5.66
Rot. Bonds7

About (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine

(2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine (PubChem CID 154931337) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine.

Molecular Properties

Compound Name(2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine
PubChem CID154931337
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine
SMILESC/C=C(\C=C/C(=C\C)/C(C)=C/C=N/C(C)C)CCC
InChIInChI=1S/C18H29N/c1-7-10-17(8-2)11-12-18(9-3)16(6)13-14-19-15(4)5/h8-9,11-15H,7,10H2,1-6H3/b12-11-,16-13+,17-8-,18-9+,19-14+
InChIKeyMCOJLMBGNCMXBD-JEBFNJNHSA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.66
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine?
The IUPAC name of (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine (CID 154931337) is (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine.
What is the SMILES notation for (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine?
The canonical SMILES for (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine is C/C=C(\C=C/C(=C\C)/C(C)=C/C=N/C(C)C)CCC.
What is the InChIKey of (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine?
The InChIKey is MCOJLMBGNCMXBD-JEBFNJNHSA-N. The full InChI is InChI=1S/C18H29N/c1-7-10-17(8-2)11-12-18(9-3)16(6)13-14-19-15(4)5/h8-9,11-15H,7,10H2,1-6H3/b12-11-,16-13+,17-8-,18-9+,19-14+.
What are the key properties of (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine?
(2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine has a molecular weight of 259.44 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,5Z,7Z)-4,7-di(ethylidene)-3-methyl-N-propan-2-yldeca-2,5-dien-1-imine is sourced from PubChem (CID 154931337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).