methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C17H26N3O2+ — CID 8680865

About methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 8680865) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

• Compound Name: methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
• PubChem CID: 8680865
• Molecular Formula: C17H26N3O2+
• Molecular Weight: 304.41 g/mol
• Exact Mass: 304.20
• IUPAC Name: methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
• SMILES: CNC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C17H25N3O2/c1-18-16(21)11-20(3)17(22)12-19(2)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,6,8,10-12H2,1-3H3,(H,18,21)/p+1/t15-/m0/s1
• InChIKey: RDTNDVFHYAYBOW-HNNXBMFYSA-O
• XLogP: -0.22
• TPSA: 53.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.41
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

The IUPAC name of methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 8680865) is methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

What is the SMILES notation for methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

The canonical SMILES for methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is CNC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CCCc2ccccc21.

What is the InChIKey of methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

The InChIKey is RDTNDVFHYAYBOW-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-18-16(21)11-20(3)17(22)12-19(2)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,6,8,10-12H2,1-3H3,(H,18,21)/p+1/t15-/m0/s1.

What are the key properties of methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 304.41 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 8680865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).