5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine

C₁₅H₃₄N₂ — CID 82922907

About 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine

5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine (PubChem CID 82922907) has the molecular formula C₁₅H₃₄N₂ and a molecular weight of 242.45 g/mol. Its IUPAC name is 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine.

Molecular Properties

• Compound Name: 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
• PubChem CID: 82922907
• Molecular Formula: C₁₅H₃₄N₂
• Molecular Weight: 242.45 g/mol
• Exact Mass: 242.27
• IUPAC Name: 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
• SMILES: CCCNC(CC(CC)CC)C(C)(C)N(C)C
• InChI: InChI=1S/C15H34N2/c1-8-11-16-14(12-13(9-2)10-3)15(4,5)17(6)7/h13-14,16H,8-12H2,1-7H3
• InChIKey: CWPWKRYNHKBBKU-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.45
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?

The IUPAC name of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine (CID 82922907) is 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine.

What is the SMILES notation for 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?

The canonical SMILES for 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine is CCCNC(CC(CC)CC)C(C)(C)N(C)C.

What is the InChIKey of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?

The InChIKey is CWPWKRYNHKBBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-11-16-14(12-13(9-2)10-3)15(4,5)17(6)7/h13-14,16H,8-12H2,1-7H3.

What are the key properties of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?

5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine is sourced from PubChem (CID 82922907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82922907 — identifiers, structure, computed properties (public domain)

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