Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine

C₁₃H₂₆N₂ — CID 143782119

About Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine

Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine (PubChem CID 143782119) has the molecular formula C₁₃H₂₆N₂ and a molecular weight of 210.36 g/mol. Its IUPAC name is ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine.

Molecular Properties

• Compound Name: Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
• PubChem CID: 143782119
• Molecular Formula: C₁₃H₂₆N₂
• Molecular Weight: 210.36 g/mol
• Exact Mass: 210.21
• IUPAC Name: ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
• SMILES: C=C.C=C(/C=C\C)C(C)(N)CCN(C)C
• InChI: InChI=1S/C11H22N2.C2H4/c1-6-7-10(2)11(3,12)8-9-13(4)5;1-2/h6-7H,2,8-9,12H2,1,3-5H3;1-2H2/b7-6-
• InChIKey: SACWJIQDXISLAA-NAFXZHHSSA-N
• XLogP: 2.59
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.36
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?

The IUPAC name of Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine (CID 143782119) is ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine.

What is the SMILES notation for Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?

The canonical SMILES for Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine is C=C.C=C(/C=C\C)C(C)(N)CCN(C)C.

What is the InChIKey of Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?

The InChIKey is SACWJIQDXISLAA-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H22N2.C2H4/c1-6-7-10(2)11(3,12)8-9-13(4)5;1-2/h6-7H,2,8-9,12H2,1,3-5H3;1-2H2/b7-6-;.

What are the key properties of Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?

Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine is sourced from PubChem (CID 143782119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143782119 — identifiers, structure, computed properties (public domain)

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