(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine

C17H21N — CID 144654659

IUPAC(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C(C=C)=C(/C)NCc1ccccc1
InChIInChI=1S/C17H21N/c1-5-14(3)12-17(6-2)15(4)18-13-16-10-8-7-9-11-16/h5-12,18H,1-2,13H2,3-4H3/b14-12-,17-15+
InChIKeyFXDAUNDUXHJZSG-KPANNZBFSA-N
MW239.36 g/mol
LogP4.37
Rot. Bonds6

About (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine

(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine (PubChem CID 144654659) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine
PubChem CID144654659
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C(C=C)=C(/C)NCc1ccccc1
InChIInChI=1S/C17H21N/c1-5-14(3)12-17(6-2)15(4)18-13-16-10-8-7-9-11-16/h5-12,18H,1-2,13H2,3-4H3/b14-12-,17-15+
InChIKeyFXDAUNDUXHJZSG-KPANNZBFSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine;1-(6-fluoro-3H-inden-1-yl)ethanone;molecular hydrogen
CID 144654658
N-benzylethanethioamide
CID 3598879
4-(benzylamino)-3-chloropent-3-en-2-one
CID 155817862
N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 174986700
N-benzylacetamide;ethanamine
CID 22257034
(1E)-N-benzyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 156645928
N-benzylbut-1-en-2-amine
CID 12705420
2-(benzylamino)acetic acid;formic acid;(3Z)-3-methylhexa-1,3,5-triene
CID 162685353
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
CID 102036043
CID 145472902
CID 145472902
2,3-bis(ethenyl)penta-2,4-dienylbenzene
CID 142535288
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine (CID 144654659) is (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine is C=C/C(C)=C\C(C=C)=C(/C)NCc1ccccc1.
What is the InChIKey of (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine?
The InChIKey is FXDAUNDUXHJZSG-KPANNZBFSA-N. The full InChI is InChI=1S/C17H21N/c1-5-14(3)12-17(6-2)15(4)18-13-16-10-8-7-9-11-16/h5-12,18H,1-2,13H2,3-4H3/b14-12-,17-15+.
What are the key properties of (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine?
(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine has a molecular weight of 239.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 144654659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).