ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine

C25H38N4 — CID 171643867

About ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine

ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine (PubChem CID 171643867) has the molecular formula C25H38N4 and a molecular weight of 394.61 g/mol. Its IUPAC name is ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine.

Molecular Properties

• Compound Name: ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
• PubChem CID: 171643867
• Molecular Formula: C25H38N4
• Molecular Weight: 394.61 g/mol
• Exact Mass: 394.31
• IUPAC Name: ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
• SMILES: C=C(NCc1cc2cc(C)ccc2[nH]1)NC1CCCN(C)C1.C=CC1CCCC1
• InChI: InChI=1S/C18H26N4.C7H12/c1-13-6-7-18-15(9-13)10-17(21-18)11-19-14(2)20-16-5-4-8-22(3)12-16;1-2-7-5-3-4-6-7/h6-7,9-10,16,19-21H,2,4-5,8,11-12H2,1,3H3;2,7H,1,3-6H2
• InChIKey: YBYDZVMYRTZOAD-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 43.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.61
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
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 ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine?

The IUPAC name of ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine (CID 171643867) is ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine.

What is the SMILES notation for ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine?

The canonical SMILES for ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine is C=C(NCc1cc2cc(C)ccc2[nH]1)NC1CCCN(C)C1.C=CC1CCCC1.

What is the InChIKey of ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine?

The InChIKey is YBYDZVMYRTZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.C7H12/c1-13-6-7-18-15(9-13)10-17(21-18)11-19-14(2)20-16-5-4-8-22(3)12-16;1-2-7-5-3-4-6-7/h6-7,9-10,16,19-21H,2,4-5,8,11-12H2,1,3H3;2,7H,1,3-6H2.

What are the key properties of ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine?

ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine has a molecular weight of 394.61 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 171643867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).