(3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine

C23H35N — CID 134276164

IUPAC(3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)C(C)(C)C/C(C=C=C(CCC)/C(C)=C/C)=C\C
InChIInChI=1S/C23H35N/c1-9-12-22(18(4)10-2)16-15-21(11-3)17-23(7,8)19(5)13-14-20(6)24/h10-11,13-15,24H,5,9,12,17H2,1-4,6-8H3/b14-13-,18-10+,21-11-,24-20+
InChIKeyFHQHFQFQXMPRQH-WUGHVBNTSA-N
MW325.54 g/mol
LogP7.35
Rot. Bonds9

About (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine

(3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine (PubChem CID 134276164) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine.

Molecular Properties

Compound Name(3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine
PubChem CID134276164
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)C(C)(C)C/C(C=C=C(CCC)/C(C)=C/C)=C\C
InChIInChI=1S/C23H35N/c1-9-12-22(18(4)10-2)16-15-21(11-3)17-23(7,8)19(5)13-14-20(6)24/h10-11,13-15,24H,5,9,12,17H2,1-4,6-8H3/b14-13-,18-10+,21-11-,24-20+
InChIKeyFHQHFQFQXMPRQH-WUGHVBNTSA-N
XLogP7.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.35
H-Bond Donors ≤ 51
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 (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine?
The IUPAC name of (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine (CID 134276164) is (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine.
What is the SMILES notation for (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine?
The canonical SMILES for (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine is [H]/N=C(C)/C=C\C(=C)C(C)(C)C/C(C=C=C(CCC)/C(C)=C/C)=C\C.
What is the InChIKey of (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine?
The InChIKey is FHQHFQFQXMPRQH-WUGHVBNTSA-N. The full InChI is InChI=1S/C23H35N/c1-9-12-22(18(4)10-2)16-15-21(11-3)17-23(7,8)19(5)13-14-20(6)24/h10-11,13-15,24H,5,9,12,17H2,1-4,6-8H3/b14-13-,18-10+,21-11-,24-20+.
What are the key properties of (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine?
(3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine has a molecular weight of 325.54 g/mol, XLogP of 7.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E,12E)-8-ethylidene-6,6,12-trimethyl-5-methylidene-11-propyltetradeca-3,9,10,12-tetraen-2-imine is sourced from PubChem (CID 134276164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).