N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine

C₁₄H₂₅NO — CID 170054123

About N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine

N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine (PubChem CID 170054123) has the molecular formula C₁₄H₂₅NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine.

Molecular Properties

• Compound Name: N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
• PubChem CID: 170054123
• Molecular Formula: C₁₄H₂₅NO
• Molecular Weight: 223.36 g/mol
• Exact Mass: 223.19
• IUPAC Name: N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
• SMILES: CC/C=C(\C=C(C)C)N(C)C1CCOCC1
• InChI: InChI=1S/C14H25NO/c1-5-6-14(11-12(2)3)15(4)13-7-9-16-10-8-13/h6,11,13H,5,7-10H2,1-4H3/b14-6+
• InChIKey: XUDRJDSFDHNWTO-MKMNVTDBSA-N
• XLogP: 3.36
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.36
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?

The IUPAC name of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine (CID 170054123) is N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine.

What is the SMILES notation for N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?

The canonical SMILES for N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine is CC/C=C(\C=C(C)C)N(C)C1CCOCC1.

What is the InChIKey of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?

The InChIKey is XUDRJDSFDHNWTO-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-14(11-12(2)3)15(4)13-7-9-16-10-8-13/h6,11,13H,5,7-10H2,1-4H3/b14-6+.

What are the key properties of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?

N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine is sourced from PubChem (CID 170054123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170054123 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.