2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

C19H39N5O2 — CID 110042386

About 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110042386) has the molecular formula C19H39N5O2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
• PubChem CID: 110042386
• Molecular Formula: C19H39N5O2
• Molecular Weight: 369.55 g/mol
• Exact Mass: 369.31
• IUPAC Name: 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
• SMILES: CCCCN/C(=N\CC(=O)N(C)C)NC1CCN(CCOC(C)C)CC1
• InChI: InChI=1S/C19H39N5O2/c1-6-7-10-20-19(21-15-18(25)23(4)5)22-17-8-11-24(12-9-17)13-14-26-16(2)3/h16-17H,6-15H2,1-5H3,(H2,20,21,22)
• InChIKey: IAVVILQQQZJWAU-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 69.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.55
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110042386) is 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N\CC(=O)N(C)C)NC1CCN(CCOC(C)C)CC1.

What is the InChIKey of 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?

The InChIKey is IAVVILQQQZJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O2/c1-6-7-10-20-19(21-15-18(25)23(4)5)22-17-8-11-24(12-9-17)13-14-26-16(2)3/h16-17H,6-15H2,1-5H3,(H2,20,21,22).

What are the key properties of 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?

2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 369.55 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110042386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).