(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine

C19H23N — CID 145472908

IUPAC(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine
SMILESC=C/C(C)=C\C(C#CCN(C)Cc1ccccc1)=C/C
InChIInChI=1S/C19H23N/c1-5-17(3)15-18(6-2)13-10-14-20(4)16-19-11-8-7-9-12-19/h5-9,11-12,15H,1,14,16H2,2-4H3/b17-15-,18-6-
InChIKeyIWEYAADTGWTKCA-FNCGVYGWSA-N
MW265.40 g/mol
LogP4.20
Rot. Bonds5

About (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine

(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine (PubChem CID 145472908) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine.

Molecular Properties

Compound Name(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine
PubChem CID145472908
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine
SMILESC=C/C(C)=C\C(C#CCN(C)Cc1ccccc1)=C/C
InChIInChI=1S/C19H23N/c1-5-17(3)15-18(6-2)13-10-14-20(4)16-19-11-8-7-9-12-19/h5-9,11-12,15H,1,14,16H2,2-4H3/b17-15-,18-6-
InChIKeyIWEYAADTGWTKCA-FNCGVYGWSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,5Z)-4-ethylidene-N,6-dimethyl-N-[(2R)-1-phenylpropan-2-yl]octa-5,7-dien-2-yn-1-amine
CID 145472991
ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene
CID 145472806
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
CID 21390504
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
CID 52997639
N-[4-[benzyl(methyl)amino]but-2-ynyl]-4-chlorobenzamide
CID 71792872
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-phenylprop-2-enamide
CID 71960612
N,N-dibenzyl-2-methylbut-2-en-1-amine
CID 78088479
(1S)-N,N'-dibenzyl-1-cyclopropyl-N,N'-dimethylbut-2-yne-1,4-diamine
CID 155934628
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
(1S)-N,N'-dibenzyl-N,N'-dimethyl-1-phenylbut-2-yne-1,4-diamine
CID 155934629
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine?
The IUPAC name of (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine (CID 145472908) is (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine.
What is the SMILES notation for (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine?
The canonical SMILES for (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine is C=C/C(C)=C\C(C#CCN(C)Cc1ccccc1)=C/C.
What is the InChIKey of (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine?
The InChIKey is IWEYAADTGWTKCA-FNCGVYGWSA-N. The full InChI is InChI=1S/C19H23N/c1-5-17(3)15-18(6-2)13-10-14-20(4)16-19-11-8-7-9-12-19/h5-9,11-12,15H,1,14,16H2,2-4H3/b17-15-,18-6-.
What are the key properties of (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine?
(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine is sourced from PubChem (CID 145472908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).