N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine

C₁₄H₂₅NO — CID 153330092

About N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine

N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine (PubChem CID 153330092) has the molecular formula C₁₄H₂₅NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine.

Molecular Properties

• Compound Name: N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
• PubChem CID: 153330092
• Molecular Formula: C₁₄H₂₅NO
• Molecular Weight: 223.36 g/mol
• Exact Mass: 223.19
• IUPAC Name: N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
• SMILES: C/C=C\C(C)=C/C(=C/CC)OC(C)CNC
• InChI: InChI=1S/C14H25NO/c1-6-8-12(3)10-14(9-7-2)16-13(4)11-15-5/h6,8-10,13,15H,7,11H2,1-5H3/b8-6-,12-10-,14-9-
• InChIKey: UAVFTXUWFJXOSA-DGHFLRIRSA-N
• XLogP: 3.43
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.36
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?

The IUPAC name of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine (CID 153330092) is N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine.

What is the SMILES notation for N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?

The canonical SMILES for N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine is C/C=C\C(C)=C/C(=C/CC)OC(C)CNC.

What is the InChIKey of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?

The InChIKey is UAVFTXUWFJXOSA-DGHFLRIRSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-8-12(3)10-14(9-7-2)16-13(4)11-15-5/h6,8-10,13,15H,7,11H2,1-5H3/b8-6-,12-10-,14-9-.

What are the key properties of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?

N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine is sourced from PubChem (CID 153330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153330092 — identifiers, structure, computed properties (public domain)

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