(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C₁₆H₃₁N₃O — CID 102706745

About (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 102706745) has the molecular formula C₁₆H₃₁N₃O and a molecular weight of 281.44 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
• PubChem CID: 102706745
• Molecular Formula: C₁₆H₃₁N₃O
• Molecular Weight: 281.44 g/mol
• Exact Mass: 281.25
• IUPAC Name: (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
• SMILES: CCC1CN(C(=O)C2CC(N)C(C)CC2C)CCN1C
• InChI: InChI=1S/C16H31N3O/c1-5-13-10-19(7-6-18(13)4)16(20)14-9-15(17)12(3)8-11(14)2/h11-15H,5-10,17H2,1-4H3
• InChIKey: SOAGCFCGTLOTGS-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 49.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.44
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?

The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 102706745) is (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?

The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)C2CC(N)C(C)CC2C)CCN1C.

What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?

The InChIKey is SOAGCFCGTLOTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-13-10-19(7-6-18(13)4)16(20)14-9-15(17)12(3)8-11(14)2/h11-15H,5-10,17H2,1-4H3.

What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?

(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 102706745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102706745 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.