ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine

C18H36N2 — CID 142262723

IUPACethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESC=C/C(CN(C)CCCN(C)C)=C(\C=C/C)CC.CC
InChIInChI=1S/C16H30N2.C2H6/c1-7-11-15(8-2)16(9-3)14-18(6)13-10-12-17(4)5;1-2/h7,9,11H,3,8,10,12-14H2,1-2,4-6H3;1-2H3/b11-7-,16-15+;
InChIKeyWUQXZXGCDYQCMB-QVEDHVEMSA-N
MW280.50 g/mol
LogP4.36
Rot. Bonds9

About ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine

ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 142262723) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Nameethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID142262723
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Nameethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESC=C/C(CN(C)CCCN(C)C)=C(\C=C/C)CC.CC
InChIInChI=1S/C16H30N2.C2H6/c1-7-11-15(8-2)16(9-3)14-18(6)13-10-12-17(4)5;1-2/h7,9,11H,3,8,10,12-14H2,1-2,4-6H3;1-2H3/b11-7-,16-15+;
InChIKeyWUQXZXGCDYQCMB-QVEDHVEMSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,N-Diethyl-2-methyl-6-methyleneocta-2,7-diene-1-amine
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CID 559793
1,3,5-Cycloheptatriene, 2,5-bis(diethylaminomethyl)-7,7-dimethyl-
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CID 15202893
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CID 13023821
bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)
CID 18368706
1-Butyl-3,4-ditert-butyl-2,7-dihydroazepine
CID 20871973
chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)
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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 142262723) is ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine is C=C/C(CN(C)CCCN(C)C)=C(\C=C/C)CC.CC.
What is the InChIKey of ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is WUQXZXGCDYQCMB-QVEDHVEMSA-N. The full InChI is InChI=1S/C16H30N2.C2H6/c1-7-11-15(8-2)16(9-3)14-18(6)13-10-12-17(4)5;1-2/h7,9,11H,3,8,10,12-14H2,1-2,4-6H3;1-2H3/b11-7-,16-15+;.
What are the key properties of ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(2E,4Z)-2-ethenyl-3-ethylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 142262723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).