4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine

C25H43N — CID 167190857

About 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine

4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine (PubChem CID 167190857) has the molecular formula C25H43N and a molecular weight of 357.63 g/mol. Its IUPAC name is 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine.

Molecular Properties

• Compound Name: 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine
• PubChem CID: 167190857
• Molecular Formula: C25H43N
• Molecular Weight: 357.63 g/mol
• Exact Mass: 357.34
• IUPAC Name: 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine
• SMILES: C=C(CC)CC(C)(CC(C/C=C\C=C\C)C(C)C1CC(C)CN1)C(=C)C
• InChI: InChI=1S/C25H43N/c1-9-11-12-13-14-23(22(7)24-15-21(6)18-26-24)17-25(8,19(3)4)16-20(5)10-2/h9,11-13,21-24,26H,3,5,10,14-18H2,1-2,4,6-8H3/b11-9+,13-12-
• InChIKey: JQMBDLWVPMUERS-ZFDSPDROSA-N
• XLogP: 7.09
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.63
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine?

The IUPAC name of 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine (CID 167190857) is 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine.

What is the SMILES notation for 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine?

The canonical SMILES for 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine is C=C(CC)CC(C)(CC(C/C=C\C=C\C)C(C)C1CC(C)CN1)C(=C)C.

What is the InChIKey of 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine?

The InChIKey is JQMBDLWVPMUERS-ZFDSPDROSA-N. The full InChI is InChI=1S/C25H43N/c1-9-11-12-13-14-23(22(7)24-15-21(6)18-26-24)17-25(8,19(3)4)16-20(5)10-2/h9,11-13,21-24,26H,3,5,10,14-18H2,1-2,4,6-8H3/b11-9+,13-12-.

What are the key properties of 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine?

4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine has a molecular weight of 357.63 g/mol, XLogP of 7.09, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine is sourced from PubChem (CID 167190857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).