butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane

C33H55NO — CID 163254609

About butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane

butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane (PubChem CID 163254609) has the molecular formula C33H55NO and a molecular weight of 481.81 g/mol. Its IUPAC name is butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane.

Molecular Properties

• Compound Name: butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane
• PubChem CID: 163254609
• Molecular Formula: C33H55NO
• Molecular Weight: 481.81 g/mol
• Exact Mass: 481.43
• IUPAC Name: butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane
• SMILES: CC.CC(C)C.CCC(C)/C1=C(\N)c2ccccc2CC(OC(C)C)c2ccccc21.CCCC
• InChI: InChI=1S/C23H29NO.2C4H10.C2H6/c1-5-16(4)22-20-13-9-8-12-19(20)21(25-15(2)3)14-17-10-6-7-11-18(17)23(22)24;1-4(2)3;1-3-4-2;1-2/h6-13,15-16,21H,5,14,24H2,1-4H3;4H,1-3H3;3-4H2,1-2H3;1-2H3/b23-22+
• InChIKey: KVWHZVVUGMOZLX-DQUNTQLESA-N
• XLogP: 10.08
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.81
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane?

The IUPAC name of butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane (CID 163254609) is butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane.

What is the SMILES notation for butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane?

The canonical SMILES for butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane is CC.CC(C)C.CCC(C)/C1=C(\N)c2ccccc2CC(OC(C)C)c2ccccc21.CCCC.

What is the InChIKey of butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane?

The InChIKey is KVWHZVVUGMOZLX-DQUNTQLESA-N. The full InChI is InChI=1S/C23H29NO.2C4H10.C2H6/c1-5-16(4)22-20-13-9-8-12-19(20)21(25-15(2)3)14-17-10-6-7-11-18(17)23(22)24;1-4(2)3;1-3-4-2;1-2/h6-13,15-16,21H,5,14,24H2,1-4H3;4H,1-3H3;3-4H2,1-2H3;1-2H3/b23-22+;;;.

What are the key properties of butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane?

butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane has a molecular weight of 481.81 g/mol, XLogP of 10.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane is sourced from PubChem (CID 163254609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).