(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine

C24H43N — CID 146481462

IUPAC(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine
SMILES[H]/N=C/C=C(CC)\C(C)=C\C(C)(C)C(=C)CC(C)CC(CC)CCCC
InChIInChI=1S/C24H43N/c1-9-12-13-22(10-2)17-19(4)16-21(6)24(7,8)18-20(5)23(11-3)14-15-25/h14-15,18-19,22,25H,6,9-13,16-17H2,1-5,7-8H3/b20-18+,23-14-,25-15+
InChIKeyYZXZGRJFGXIFPV-TVFLACLQSA-N
MW345.62 g/mol
LogP8.13
Rot. Bonds13

About (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine

(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine (PubChem CID 146481462) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine
PubChem CID146481462
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine
SMILES[H]/N=C/C=C(CC)\C(C)=C\C(C)(C)C(=C)CC(C)CC(CC)CCCC
InChIInChI=1S/C24H43N/c1-9-12-13-22(10-2)17-19(4)16-21(6)24(7,8)18-20(5)23(11-3)14-15-25/h14-15,18-19,22,25H,6,9-13,16-17H2,1-5,7-8H3/b20-18+,23-14-,25-15+
InChIKeyYZXZGRJFGXIFPV-TVFLACLQSA-N
XLogP8.13
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine (CID 146481462) is (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine is [H]/N=C/C=C(CC)\C(C)=C\C(C)(C)C(=C)CC(C)CC(CC)CCCC.
What is the InChIKey of (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine?
The InChIKey is YZXZGRJFGXIFPV-TVFLACLQSA-N. The full InChI is InChI=1S/C24H43N/c1-9-12-13-22(10-2)17-19(4)16-21(6)24(7,8)18-20(5)23(11-3)14-15-25/h14-15,18-19,22,25H,6,9-13,16-17H2,1-5,7-8H3/b20-18+,23-14-,25-15+.
What are the key properties of (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine?
(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine has a molecular weight of 345.62 g/mol, XLogP of 8.13, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine is sourced from PubChem (CID 146481462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).