ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine

C20H30N2 — CID 142018019

IUPACethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine
SMILESC=C/C=C(\C=C)CCNC(=C)NCCc1ccccc1.CC
InChIInChI=1S/C18H24N2.C2H6/c1-4-9-17(5-2)12-14-19-16(3)20-15-13-18-10-7-6-8-11-18;1-2/h4-11,19-20H,1-3,12-15H2;1-2H3/b17-9+;
InChIKeyKIUGSQPEYBQRBF-WWIHJBQESA-N
MW298.47 g/mol
LogP4.59
Rot. Bonds10

About ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine

ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine (PubChem CID 142018019) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine.

Molecular Properties

Compound Nameethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine
PubChem CID142018019
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Nameethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine
SMILESC=C/C=C(\C=C)CCNC(=C)NCCc1ccccc1.CC
InChIInChI=1S/C18H24N2.C2H6/c1-4-9-17(5-2)12-14-19-16(3)20-15-13-18-10-7-6-8-11-18;1-2/h4-11,19-20H,1-3,12-15H2;1-2H3/b17-9+;
InChIKeyKIUGSQPEYBQRBF-WWIHJBQESA-N
XLogP4.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-ethenyl-N-(2-phenylethyl)pent-3-en-1-amine
CID 137380998
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CID 2058117
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CID 164925034
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CID 144937648
1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-[3-methyl-4-(2-methylhydrazinyl)phenyl]thiourea
CID 142116820

Frequently Asked Questions

What is the IUPAC name of ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine?
The IUPAC name of ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine (CID 142018019) is ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine.
What is the SMILES notation for ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine?
The canonical SMILES for ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine is C=C/C=C(\C=C)CCNC(=C)NCCc1ccccc1.CC.
What is the InChIKey of ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine?
The InChIKey is KIUGSQPEYBQRBF-WWIHJBQESA-N. The full InChI is InChI=1S/C18H24N2.C2H6/c1-4-9-17(5-2)12-14-19-16(3)20-15-13-18-10-7-6-8-11-18;1-2/h4-11,19-20H,1-3,12-15H2;1-2H3/b17-9+;.
What are the key properties of ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine?
ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine has a molecular weight of 298.47 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine is sourced from PubChem (CID 142018019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).