(2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine

C26H43N — CID 139453628

IUPAC(2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine
SMILESCCCC(/C=C\C(C1=C/C(=C/C(C)CC)N(CC)C=C1)=C(C)C)CC(C)C
InChIInChI=1S/C26H43N/c1-9-12-23(17-20(4)5)13-14-26(21(6)7)24-15-16-27(11-3)25(19-24)18-22(8)10-2/h13-16,18-20,22-23H,9-12,17H2,1-8H3/b14-13-,25-18-
InChIKeyNESIJGWCFHUKSE-NHXSPXMSSA-N
MW369.64 g/mol
LogP8.05
Rot. Bonds10

About (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine

(2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine (PubChem CID 139453628) has the molecular formula C26H43N and a molecular weight of 369.64 g/mol. Its IUPAC name is (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine.

Molecular Properties

Compound Name(2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine
PubChem CID139453628
Molecular FormulaC26H43N
Molecular Weight369.64 g/mol
Exact Mass369.34
IUPAC Name(2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine
SMILESCCCC(/C=C\C(C1=C/C(=C/C(C)CC)N(CC)C=C1)=C(C)C)CC(C)C
InChIInChI=1S/C26H43N/c1-9-12-23(17-20(4)5)13-14-26(21(6)7)24-15-16-27(11-3)25(19-24)18-22(8)10-2/h13-16,18-20,22-23H,9-12,17H2,1-8H3/b14-13-,25-18-
InChIKeyNESIJGWCFHUKSE-NHXSPXMSSA-N
XLogP8.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine?
The IUPAC name of (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine (CID 139453628) is (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine.
What is the SMILES notation for (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine?
The canonical SMILES for (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine is CCCC(/C=C\C(C1=C/C(=C/C(C)CC)N(CC)C=C1)=C(C)C)CC(C)C.
What is the InChIKey of (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine?
The InChIKey is NESIJGWCFHUKSE-NHXSPXMSSA-N. The full InChI is InChI=1S/C26H43N/c1-9-12-23(17-20(4)5)13-14-26(21(6)7)24-15-16-27(11-3)25(19-24)18-22(8)10-2/h13-16,18-20,22-23H,9-12,17H2,1-8H3/b14-13-,25-18-.
What are the key properties of (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine?
(2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine has a molecular weight of 369.64 g/mol, XLogP of 8.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-[(4Z)-2,8-dimethyl-6-propylnona-2,4-dien-3-yl]-1-ethyl-2-(2-methylbutylidene)pyridine is sourced from PubChem (CID 139453628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).