(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine

C20H32N8O3 — CID 167298502

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine (PubChem CID 167298502) has the molecular formula C20H32N8O3 and a molecular weight of 432.53 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine
• PubChem CID: 167298502
• Molecular Formula: C20H32N8O3
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.26
• IUPAC Name: (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine
• SMILES: COCCOc1nnn(C/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)n1
• InChI: InChI=1S/C20H32N8O3/c1-14-18(31-15-7-5-4-6-8-15)10-9-16(23-14)19(21)17(27(2)22)13-28-25-20(24-26-28)30-12-11-29-3/h9-10,15H,4-8,11-13,21-22H2,1-3H3/b19-17-
• InChIKey: AWZVCVIFKPGPPL-ZPHPHTNESA-N
• XLogP: 1.25
• TPSA: 139.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine?

The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine (CID 167298502) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]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-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine?

The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine is COCCOc1nnn(C/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)n1.

What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine?

The InChIKey is AWZVCVIFKPGPPL-ZPHPHTNESA-N. The full InChI is InChI=1S/C20H32N8O3/c1-14-18(31-15-7-5-4-6-8-15)10-9-16(23-14)19(21)17(27(2)22)13-28-25-20(24-26-28)30-12-11-29-3/h9-10,15H,4-8,11-13,21-22H2,1-3H3/b19-17-.

What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine?

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[5-(2-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine has a molecular weight of 432.53 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 11 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-methoxyethoxy)tetrazol-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 167298502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).