3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine

C₁₆H₃₄N₂O — CID 106871598

About 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 106871598) has the molecular formula C₁₆H₃₄N₂O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

• Compound Name: 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
• PubChem CID: 106871598
• Molecular Formula: C₁₆H₃₄N₂O
• Molecular Weight: 270.46 g/mol
• Exact Mass: 270.27
• IUPAC Name: 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
• SMILES: CCC(CC)C(CNC1CCCC(OC)C1)N(C)C
• InChI: InChI=1S/C16H34N2O/c1-6-13(7-2)16(18(3)4)12-17-14-9-8-10-15(11-14)19-5/h13-17H,6-12H2,1-5H3
• InChIKey: PKWKKGKFTPHIIB-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.46
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?

The IUPAC name of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine (CID 106871598) is 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine.

What is the SMILES notation for 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?

The canonical SMILES for 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC1CCCC(OC)C1)N(C)C.

What is the InChIKey of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?

The InChIKey is PKWKKGKFTPHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-13(7-2)16(18(3)4)12-17-14-9-8-10-15(11-14)19-5/h13-17H,6-12H2,1-5H3.

What are the key properties of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?

3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106871598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106871598 — identifiers, structure, computed properties (public domain)

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