2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine

C15H29NO2 — CID 170073412

IUPAC2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine
SMILESCCC(C)C1CCC(C)=CC1OCCOCCN
InChIInChI=1S/C15H29NO2/c1-4-13(3)14-6-5-12(2)11-15(14)18-10-9-17-8-7-16/h11,13-15H,4-10,16H2,1-3H3
InChIKeyZAXMJAUCZZOYMU-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.75
Rot. Bonds8

About 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine

2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine (PubChem CID 170073412) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine
PubChem CID170073412
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine
SMILESCCC(C)C1CCC(C)=CC1OCCOCCN
InChIInChI=1S/C15H29NO2/c1-4-13(3)14-6-5-12(2)11-15(14)18-10-9-17-8-7-16/h11,13-15H,4-10,16H2,1-3H3
InChIKeyZAXMJAUCZZOYMU-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine?
The IUPAC name of 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine (CID 170073412) is 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine.
What is the SMILES notation for 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine?
The canonical SMILES for 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine is CCC(C)C1CCC(C)=CC1OCCOCCN.
What is the InChIKey of 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine?
The InChIKey is ZAXMJAUCZZOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-13(3)14-6-5-12(2)11-15(14)18-10-9-17-8-7-16/h11,13-15H,4-10,16H2,1-3H3.
What are the key properties of 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine?
2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-butan-2-yl-3-methylcyclohex-2-en-1-yl)oxyethoxy]ethanamine is sourced from PubChem (CID 170073412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).