(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine

C23H37N7O2 — CID 167298630

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine (PubChem CID 167298630) has the molecular formula C23H37N7O2 and a molecular weight of 443.60 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine
• PubChem CID: 167298630
• Molecular Formula: C23H37N7O2
• Molecular Weight: 443.60 g/mol
• Exact Mass: 443.30
• IUPAC Name: (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine
• SMILES: Cc1nc(/C(N)=C(\C/N=C2\NOC(C3CC3(C)C)N2)N(C)N)ccc1OC1CCCCC1
• InChI: InChI=1S/C23H37N7O2/c1-14-19(31-15-8-6-5-7-9-15)11-10-17(27-14)20(24)18(30(4)25)13-26-22-28-21(32-29-22)16-12-23(16,2)3/h10-11,15-16,21H,5-9,12-13,24-25H2,1-4H3,(H2,26,28,29)/b20-18-
• InChIKey: XUBQLWAVKGPSJO-ZZEZOPTASA-N
• XLogP: 2.39
• TPSA: 123.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.60
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine?

The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine (CID 167298630) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine.

What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine?

The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine is Cc1nc(/C(N)=C(\C/N=C2\NOC(C3CC3(C)C)N2)N(C)N)ccc1OC1CCCCC1.

What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine?

The InChIKey is XUBQLWAVKGPSJO-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H37N7O2/c1-14-19(31-15-8-6-5-7-9-15)11-10-17(27-14)20(24)18(30(4)25)13-26-22-28-21(32-29-22)16-12-23(16,2)3/h10-11,15-16,21H,5-9,12-13,24-25H2,1-4H3,(H2,26,28,29)/b20-18-.

What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine?

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine has a molecular weight of 443.60 g/mol, XLogP of 2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine is sourced from PubChem (CID 167298630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).