(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine

C₁₆H₃₃NO — CID 154962067

About (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine

(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine (PubChem CID 154962067) has the molecular formula C₁₆H₃₃NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine.

Molecular Properties

• Compound Name: (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
• PubChem CID: 154962067
• Molecular Formula: C₁₆H₃₃NO
• Molecular Weight: 255.45 g/mol
• Exact Mass: 255.26
• IUPAC Name: (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
• SMILES: CCCOCC/C=C/CCCC(CCC)N(C)C
• InChI: InChI=1S/C16H33NO/c1-5-12-16(17(3)4)13-10-8-7-9-11-15-18-14-6-2/h7,9,16H,5-6,8,10-15H2,1-4H3/b9-7+
• InChIKey: NUBSORBGWJITFC-VQHVLOKHSA-N
• XLogP: 4.26
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.45
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?

The IUPAC name of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine (CID 154962067) is (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine.

What is the SMILES notation for (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?

The canonical SMILES for (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine is CCCOCC/C=C/CCCC(CCC)N(C)C.

What is the InChIKey of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?

The InChIKey is NUBSORBGWJITFC-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-12-16(17(3)4)13-10-8-7-9-11-15-18-14-6-2/h7,9,16H,5-6,8,10-15H2,1-4H3/b9-7+.

What are the key properties of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?

(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine has a molecular weight of 255.45 g/mol, XLogP of 4.26, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine is sourced from PubChem (CID 154962067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154962067 — identifiers, structure, computed properties (public domain)

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