(2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine

C26H47N5 — CID 166981029

About (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine

(2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine (PubChem CID 166981029) has the molecular formula C26H47N5 and a molecular weight of 429.70 g/mol. Its IUPAC name is (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine.

Molecular Properties

• Compound Name: (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
• PubChem CID: 166981029
• Molecular Formula: C26H47N5
• Molecular Weight: 429.70 g/mol
• Exact Mass: 429.38
• IUPAC Name: (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
• SMILES: CCC(C)CC1(CC)CCN(CC2CCN(/C(N)=C/C=C(\N)C(N)=C3CC3)CC2)CC1
• InChI: InChI=1S/C26H47N5/c1-4-20(3)18-26(5-2)12-16-30(17-13-26)19-21-10-14-31(15-11-21)24(28)9-8-23(27)25(29)22-6-7-22/h8-9,20-21H,4-7,10-19,27-29H2,1-3H3/b23-8-,24-9+
• InChIKey: LKMSWJRPIIZQHM-NQZBSZNJSA-N
• XLogP: 4.28
• TPSA: 84.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.70
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?

The IUPAC name of (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine (CID 166981029) is (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine.

What is the SMILES notation for (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?

The canonical SMILES for (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine is CCC(C)CC1(CC)CCN(CC2CCN(/C(N)=C/C=C(\N)C(N)=C3CC3)CC2)CC1.

What is the InChIKey of (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?

The InChIKey is LKMSWJRPIIZQHM-NQZBSZNJSA-N. The full InChI is InChI=1S/C26H47N5/c1-4-20(3)18-26(5-2)12-16-30(17-13-26)19-21-10-14-31(15-11-21)24(28)9-8-23(27)25(29)22-6-7-22/h8-9,20-21H,4-7,10-19,27-29H2,1-3H3/b23-8-,24-9+.

What are the key properties of (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?

(2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine has a molecular weight of 429.70 g/mol, XLogP of 4.28, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine is sourced from PubChem (CID 166981029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).