N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine

C24H32N2 — CID 137468073

IUPACN-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine
SMILESC=CNCCN(CCCCC(=C)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C24H32N2/c1-5-25-17-19-26(24-12-7-6-11-22(24)4)18-9-8-10-21(3)23-15-13-20(2)14-16-23/h5-7,11-16,25H,1,3,8-10,17-19H2,2,4H3
InChIKeyXNDIFGMEBCCBGO-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.73
Rot. Bonds11

About N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine

N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine (PubChem CID 137468073) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine
PubChem CID137468073
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine
SMILESC=CNCCN(CCCCC(=C)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C24H32N2/c1-5-25-17-19-26(24-12-7-6-11-22(24)4)18-9-8-10-21(3)23-15-13-20(2)14-16-23/h5-7,11-16,25H,1,3,8-10,17-19H2,2,4H3
InChIKeyXNDIFGMEBCCBGO-UHFFFAOYSA-N
XLogP5.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15247721
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1-methyl-4-(8-phenyloct-1-en-7-yn-2-yl)benzene
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2-methyl-N-prop-1-en-2-yl-N-(4-prop-1-en-2-ylphenyl)aniline
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N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
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N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
5-(N,2-dimethylanilino)pentanehydrazide
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methanamine;2-methyl-N,N-dipropylaniline;2-methylhex-1-ene;N-[1-[4-methyl-3-[2-(1,3-thiazol-4-yl)prop-2-enyl]phenyl]ethenyl]butan-1-amine
CID 144514178
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
CID 143144030

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine?
The IUPAC name of N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine (CID 137468073) is N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine?
The canonical SMILES for N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine is C=CNCCN(CCCCC(=C)c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine?
The InChIKey is XNDIFGMEBCCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-5-25-17-19-26(24-12-7-6-11-22(24)4)18-9-8-10-21(3)23-15-13-20(2)14-16-23/h5-7,11-16,25H,1,3,8-10,17-19H2,2,4H3.
What are the key properties of N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine?
N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine has a molecular weight of 348.53 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(2-methylphenyl)-N'-[5-(4-methylphenyl)hex-5-enyl]ethane-1,2-diamine is sourced from PubChem (CID 137468073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).