ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane

C31H54N4 — CID 156741348

About ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane

ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane (PubChem CID 156741348) has the molecular formula C31H54N4 and a molecular weight of 482.80 g/mol. Its IUPAC name is ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane
• PubChem CID: 156741348
• Molecular Formula: C31H54N4
• Molecular Weight: 482.80 g/mol
• Exact Mass: 482.43
• IUPAC Name: ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane
• SMILES: C=C(C)/C=C\C(=C/C)N1CCN(CCC2CC3(CCN(C(=C)C(C)C)CC3)C(=C)N2C)CC1.CC
• InChI: InChI=1S/C29H48N4.C2H6/c1-9-27(11-10-23(2)3)33-20-18-31(19-21-33)15-12-28-22-29(26(7)30(28)8)13-16-32(17-14-29)25(6)24(4)5;1-2/h9-11,24,28H,2,6-7,12-22H2,1,3-5,8H3;1-2H3/b11-10-,27-9-
• InChIKey: JXWSYQQSOWZNEP-QEIMTAPRSA-N
• XLogP: 6.53
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.80
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane?

The IUPAC name of ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane (CID 156741348) is ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane?

The canonical SMILES for ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane is C=C(C)/C=C\C(=C/C)N1CCN(CCC2CC3(CCN(C(=C)C(C)C)CC3)C(=C)N2C)CC1.CC.

What is the InChIKey of ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane?

The InChIKey is JXWSYQQSOWZNEP-QEIMTAPRSA-N. The full InChI is InChI=1S/C29H48N4.C2H6/c1-9-27(11-10-23(2)3)33-20-18-31(19-21-33)15-12-28-22-29(26(7)30(28)8)13-16-32(17-14-29)25(6)24(4)5;1-2/h9-11,24,28H,2,6-7,12-22H2,1,3-5,8H3;1-2H3/b11-10-,27-9-;.

What are the key properties of ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane?

ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane has a molecular weight of 482.80 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-8-(3-methylbut-1-en-2-yl)-3-[2-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethyl]-1-methylidene-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 156741348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).