(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine

C23H43N — CID 129238408

IUPAC(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine
SMILESC/C=C\C=C(\C(=C(C)C)N(C)C)C(C)C(C)CC(C)CC(C)CC
InChIInChI=1S/C23H43N/c1-11-13-14-22(23(17(3)4)24(9)10)21(8)20(7)16-19(6)15-18(5)12-2/h11,13-14,18-21H,12,15-16H2,1-10H3/b13-11-,22-14+
InChIKeyDSEHDCXQWBKQSF-OQYQHLBDSA-N
MW333.60 g/mol
LogP7.08
Rot. Bonds10

About (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine

(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine (PubChem CID 129238408) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine
PubChem CID129238408
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine
SMILESC/C=C\C=C(\C(=C(C)C)N(C)C)C(C)C(C)CC(C)CC(C)CC
InChIInChI=1S/C23H43N/c1-11-13-14-22(23(17(3)4)24(9)10)21(8)20(7)16-19(6)15-18(5)12-2/h11,13-14,18-21H,12,15-16H2,1-10H3/b13-11-,22-14+
InChIKeyDSEHDCXQWBKQSF-OQYQHLBDSA-N
XLogP7.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(7Z)-3-ethyl-N,7,8-trimethyl-N-(trifluoromethyl)deca-1,7,9-trien-2-amine
CID 132173408
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
CID 142281793
N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 56977196
N-butyl-N-[2-[2,4,5-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethyl]butan-1-amine
CID 57191751
N,N-dimethyl-2-[2,4,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 57277832
2,6-Dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine
CID 67749560
N,N-dimethyl-2-[2,3,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 88253244
2,3,3,7-tetramethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propyloct-6-en-1-amine
CID 88928009

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine (CID 129238408) is (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine is C/C=C\C=C(\C(=C(C)C)N(C)C)C(C)C(C)CC(C)CC(C)CC.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine?
The InChIKey is DSEHDCXQWBKQSF-OQYQHLBDSA-N. The full InChI is InChI=1S/C23H43N/c1-11-13-14-22(23(17(3)4)24(9)10)21(8)20(7)16-19(6)15-18(5)12-2/h11,13-14,18-21H,12,15-16H2,1-10H3/b13-11-,22-14+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine?
(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine has a molecular weight of 333.60 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine is sourced from PubChem (CID 129238408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).