(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine

C18H36AlClN2 — CID 154587302

About (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine

(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine (PubChem CID 154587302) has the molecular formula C18H36AlClN2 and a molecular weight of 342.94 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine.

Molecular Properties

• Compound Name: (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine
• PubChem CID: 154587302
• Molecular Formula: C18H36AlClN2
• Molecular Weight: 342.94 g/mol
• Exact Mass: 342.24
• IUPAC Name: (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine
• SMILES: CC/C(=C/C(CC)=N/C(C)CC)N(C(C)CC)[Al](Cl)C(C)C
• InChI: InChI=1S/C15H29N2.C3H7.Al.ClH/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;1-3-2;;/h11-13H,7-10H2,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b14-11-,17-15+
• InChIKey: NKHXENAGCHJARJ-WWRCBRJGSA-M
• XLogP: 6.17
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.94
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine?

The IUPAC name of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine (CID 154587302) is (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine.

What is the SMILES notation for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine?

The canonical SMILES for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine is CC/C(=C/C(CC)=N/C(C)CC)N(C(C)CC)[Al](Cl)C(C)C.

What is the InChIKey of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine?

The InChIKey is NKHXENAGCHJARJ-WWRCBRJGSA-M. The full InChI is InChI=1S/C15H29N2.C3H7.Al.ClH/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;1-3-2;;/h11-13H,7-10H2,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b14-11-,17-15+;;;.

What are the key properties of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine?

(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine has a molecular weight of 342.94 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine is sourced from PubChem (CID 154587302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).