1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine

C17H26N2 — CID 118181312

IUPAC1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine
SMILESC=C/C=C\C(=C)CNC(C)NC(=C)/C(C=C)=C/CC
InChIInChI=1S/C17H26N2/c1-7-10-12-14(4)13-18-16(6)19-15(5)17(9-3)11-8-2/h7,9-12,16,18-19H,1,3-5,8,13H2,2,6H3/b12-10-,17-11+
InChIKeyCJSYDEFFHXJFIB-KCILXYFRSA-N
MW258.41 g/mol
LogP3.85
Rot. Bonds10

About 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine

1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine (PubChem CID 118181312) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine
PubChem CID118181312
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine
SMILESC=C/C=C\C(=C)CNC(C)NC(=C)/C(C=C)=C/CC
InChIInChI=1S/C17H26N2/c1-7-10-12-14(4)13-18-16(6)19-15(5)17(9-3)11-8-2/h7,9-12,16,18-19H,1,3-5,8,13H2,2,6H3/b12-10-,17-11+
InChIKeyCJSYDEFFHXJFIB-KCILXYFRSA-N
XLogP3.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine (CID 118181312) is 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine is C=C/C=C\C(=C)CNC(C)NC(=C)/C(C=C)=C/CC.
What is the InChIKey of 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine?
The InChIKey is CJSYDEFFHXJFIB-KCILXYFRSA-N. The full InChI is InChI=1S/C17H26N2/c1-7-10-12-14(4)13-18-16(6)19-15(5)17(9-3)11-8-2/h7,9-12,16,18-19H,1,3-5,8,13H2,2,6H3/b12-10-,17-11+.
What are the key properties of 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine?
1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine has a molecular weight of 258.41 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine is sourced from PubChem (CID 118181312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).