4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine

C₁₅H₃₄N₂ — CID 79062661

About 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine

4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine (PubChem CID 79062661) has the molecular formula C₁₅H₃₄N₂ and a molecular weight of 242.45 g/mol. Its IUPAC name is 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine.

Molecular Properties

• Compound Name: 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
• PubChem CID: 79062661
• Molecular Formula: C₁₅H₃₄N₂
• Molecular Weight: 242.45 g/mol
• Exact Mass: 242.27
• IUPAC Name: 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
• SMILES: CCNC(CCC(C)C)C(CC)(CC)N(C)C
• InChI: InChI=1S/C15H34N2/c1-8-15(9-2,17(6)7)14(16-10-3)12-11-13(4)5/h13-14,16H,8-12H2,1-7H3
• InChIKey: SNYXJBDKNDCHRR-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 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine?

The IUPAC name of 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine (CID 79062661) is 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine.

What is the SMILES notation for 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine?

The canonical SMILES for 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine is CCNC(CCC(C)C)C(CC)(CC)N(C)C.

What is the InChIKey of 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine?

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

What are the key properties of 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine?

4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-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 4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine is sourced from PubChem (CID 79062661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79062661 — identifiers, structure, computed properties (public domain)

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