ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine

C20H34N2 — CID 144617318

IUPACethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
SMILESC=C/C=C(\C=C/C)CNCCNC/C(C=C)=C/C=C\C.CC
InChIInChI=1S/C18H28N2.C2H6/c1-5-9-12-17(8-4)15-19-13-14-20-16-18(10-6-2)11-7-3;1-2/h5-12,19-20H,2,4,13-16H2,1,3H3;1-2H3/b9-5-,11-7-,17-12+,18-10+;
InChIKeyANHJWBWVCGPSSL-KSPVZVNUSA-N
MW302.51 g/mol
LogP4.57
Rot. Bonds11

About ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine

ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine (PubChem CID 144617318) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
PubChem CID144617318
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Nameethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
SMILESC=C/C=C(\C=C/C)CNCCNC/C(C=C)=C/C=C\C.CC
InChIInChI=1S/C18H28N2.C2H6/c1-5-9-12-17(8-4)15-19-13-14-20-16-18(10-6-2)11-7-3;1-2/h5-12,19-20H,2,4,13-16H2,1,3H3;1-2H3/b9-5-,11-7-,17-12+,18-10+;
InChIKeyANHJWBWVCGPSSL-KSPVZVNUSA-N
XLogP4.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
The IUPAC name of ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine (CID 144617318) is ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
The canonical SMILES for ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine is C=C/C=C(\C=C/C)CNCCNC/C(C=C)=C/C=C\C.CC.
What is the InChIKey of ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
The InChIKey is ANHJWBWVCGPSSL-KSPVZVNUSA-N. The full InChI is InChI=1S/C18H28N2.C2H6/c1-5-9-12-17(8-4)15-19-13-14-20-16-18(10-6-2)11-7-3;1-2/h5-12,19-20H,2,4,13-16H2,1,3H3;1-2H3/b9-5-,11-7-,17-12+,18-10+;.
What are the key properties of ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine has a molecular weight of 302.51 g/mol, XLogP of 4.57, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine is sourced from PubChem (CID 144617318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).