N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine

C17H23N — CID 146590131

IUPACN-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine
SMILESC=C(C)/C=C(/Cc1ccc(CC)cc1)N=C(C)C
InChIInChI=1S/C17H23N/c1-6-15-7-9-16(10-8-15)12-17(11-13(2)3)18-14(4)5/h7-11H,2,6,12H2,1,3-5H3/b17-11-
InChIKeyAGNAAWMAWAMYBZ-BOPFTXTBSA-N
MW241.38 g/mol
LogP4.73
Rot. Bonds5

About N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine

N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine (PubChem CID 146590131) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine
PubChem CID146590131
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine
SMILESC=C(C)/C=C(/Cc1ccc(CC)cc1)N=C(C)C
InChIInChI=1S/C17H23N/c1-6-15-7-9-16(10-8-15)12-17(11-13(2)3)18-14(4)5/h7-11H,2,6,12H2,1,3-5H3/b17-11-
InChIKeyAGNAAWMAWAMYBZ-BOPFTXTBSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-azirine, 3-(4-methylphenyl)-
CID 639130
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CID 12327449
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CID 12743958
2-methyl-6-(4-methylphenyl)-3H-azepine
CID 101954543
2,7-bis(4-methylphenyl)-3H-azepine
CID 101991435
7-benzyl-2-methyl-3H-azepine
CID 134989202
1-(4-methylphenyl)-N-propylethanimine
CID 10856003
6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridine
CID 90862946
2,3,5,6-Tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 57224216
4-[[4-(fluoromethyl)phenyl]methyl]-6-methyl-2-propan-2-yl-3aH-indole
CID 71078993
5-[2-(4-methylphenyl)ethyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-pyrrole
CID 89083069
N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine
CID 89245139

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine (CID 146590131) is N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine is C=C(C)/C=C(/Cc1ccc(CC)cc1)N=C(C)C.
What is the InChIKey of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?
The InChIKey is AGNAAWMAWAMYBZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H23N/c1-6-15-7-9-16(10-8-15)12-17(11-13(2)3)18-14(4)5/h7-11H,2,6,12H2,1,3-5H3/b17-11-.
What are the key properties of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?
N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine has a molecular weight of 241.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine is sourced from PubChem (CID 146590131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).