3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine

C₁₃H₃₀N₂ — CID 79062379

About 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine

3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine (PubChem CID 79062379) has the molecular formula C₁₃H₃₀N₂ and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine.

Molecular Properties

• Compound Name: 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
• PubChem CID: 79062379
• Molecular Formula: C₁₃H₃₀N₂
• Molecular Weight: 214.40 g/mol
• Exact Mass: 214.24
• IUPAC Name: 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
• SMILES: CCC(CC)(C(CC(C)C)NC)N(C)C
• InChI: InChI=1S/C13H30N2/c1-8-13(9-2,15(6)7)12(14-5)10-11(3)4/h11-12,14H,8-10H2,1-7H3
• InChIKey: JNGRUQZQLRGIRL-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.40
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?

The IUPAC name of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine (CID 79062379) is 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine.

What is the SMILES notation for 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?

The canonical SMILES for 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine is CCC(CC)(C(CC(C)C)NC)N(C)C.

What is the InChIKey of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?

The InChIKey is JNGRUQZQLRGIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-8-13(9-2,15(6)7)12(14-5)10-11(3)4/h11-12,14H,8-10H2,1-7H3.

What are the key properties of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?

3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine is sourced from PubChem (CID 79062379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79062379 — identifiers, structure, computed properties (public domain)

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