2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C24H41N5O — CID 111203712

About 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111203712) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
• PubChem CID: 111203712
• Molecular Formula: C24H41N5O
• Molecular Weight: 415.63 g/mol
• Exact Mass: 415.33
• IUPAC Name: 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
• SMILES: CC(C)CCC(C)N/C(=N\CC(=O)N(C)C)NC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C24H41N5O/c1-19(2)11-12-20(3)26-24(25-17-23(30)28(4)5)27-22-13-15-29(16-14-22)18-21-9-7-6-8-10-21/h6-10,19-20,22H,11-18H2,1-5H3,(H2,25,26,27)
• InChIKey: OKPQKCIQVKVIBB-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 59.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.63
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111203712) is 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is CC(C)CCC(C)N/C(=N\CC(=O)N(C)C)NC1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?

The InChIKey is OKPQKCIQVKVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O/c1-19(2)11-12-20(3)26-24(25-17-23(30)28(4)5)27-22-13-15-29(16-14-22)18-21-9-7-6-8-10-21/h6-10,19-20,22H,11-18H2,1-5H3,(H2,25,26,27).

What are the key properties of 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?

2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 415.63 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[(1-benzylpiperidin-4-yl)amino]-(5-methylhexan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111203712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).