N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide

C25H35N3 — CID 144904277

About N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide

N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide (PubChem CID 144904277) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide.

Molecular Properties

• Compound Name: N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide
• PubChem CID: 144904277
• Molecular Formula: C25H35N3
• Molecular Weight: 377.58 g/mol
• Exact Mass: 377.28
• IUPAC Name: N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide
• SMILES: C=C(/C=C\C(=C)C(=C)NC)C(=C)/C=C\C(=C)C(=C)N/C(=N\C)C1CCCCC1
• InChI: InChI=1S/C25H35N3/c1-18(14-16-20(3)22(5)26-7)19(2)15-17-21(4)23(6)28-25(27-8)24-12-10-9-11-13-24/h14-17,24,26H,1-6,9-13H2,7-8H3,(H,27,28)/b16-14-,17-15-
• InChIKey: BDFLYUTWQKMCOH-RYOQUFEFSA-N
• XLogP: 5.77
• TPSA: 36.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.58
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide?

The IUPAC name of N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide (CID 144904277) is N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide.

What is the SMILES notation for N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide?

The canonical SMILES for N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide is C=C(/C=C\C(=C)C(=C)NC)C(=C)/C=C\C(=C)C(=C)N/C(=N\C)C1CCCCC1.

What is the InChIKey of N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide?

The InChIKey is BDFLYUTWQKMCOH-RYOQUFEFSA-N. The full InChI is InChI=1S/C25H35N3/c1-18(14-16-20(3)22(5)26-7)19(2)15-17-21(4)23(6)28-25(27-8)24-12-10-9-11-13-24/h14-17,24,26H,1-6,9-13H2,7-8H3,(H,27,28)/b16-14-,17-15-.

What are the key properties of N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide?

N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide has a molecular weight of 377.58 g/mol, XLogP of 5.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide is sourced from PubChem (CID 144904277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).