1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine

C26H49N3 — CID 143360731

About 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine

1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine (PubChem CID 143360731) has the molecular formula C26H49N3 and a molecular weight of 403.70 g/mol. Its IUPAC name is 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine.

Molecular Properties

• Compound Name: 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine
• PubChem CID: 143360731
• Molecular Formula: C26H49N3
• Molecular Weight: 403.70 g/mol
• Exact Mass: 403.39
• IUPAC Name: 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine
• SMILES: C=C(NC(CCCC)C(C)(C)C)NC(C(=C)N1CC(C)CC1C(=C)C)C(C)(C)C
• InChI: InChI=1S/C26H49N3/c1-13-14-15-23(25(7,8)9)27-21(6)28-24(26(10,11)12)20(5)29-17-19(4)16-22(29)18(2)3/h19,22-24,27-28H,2,5-6,13-17H2,1,3-4,7-12H3
• InChIKey: MFXVSPBZLOBXDD-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 27.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.70
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine?

The IUPAC name of 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine (CID 143360731) is 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine.

What is the SMILES notation for 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine?

The canonical SMILES for 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine is C=C(NC(CCCC)C(C)(C)C)NC(C(=C)N1CC(C)CC1C(=C)C)C(C)(C)C.

What is the InChIKey of 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine?

The InChIKey is MFXVSPBZLOBXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3/c1-13-14-15-23(25(7,8)9)27-21(6)28-24(26(10,11)12)20(5)29-17-19(4)16-22(29)18(2)3/h19,22-24,27-28H,2,5-6,13-17H2,1,3-4,7-12H3.

What are the key properties of 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine?

1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine has a molecular weight of 403.70 g/mol, XLogP of 6.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(2,2-dimethylheptan-3-yl)-1-N'-[4,4-dimethyl-2-(4-methyl-2-prop-1-en-2-ylpyrrolidin-1-yl)pent-1-en-3-yl]ethene-1,1-diamine is sourced from PubChem (CID 143360731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).