2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine

C16H31NO2 — CID 55088206

IUPAC2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
SMILESCCCCOCCNCCOCC1CC=CCC1C
InChIInChI=1S/C16H31NO2/c1-3-4-11-18-12-9-17-10-13-19-14-16-8-6-5-7-15(16)2/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyNDAYVJPIPZHTGQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.01
Rot. Bonds11

About 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine

2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine (PubChem CID 55088206) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
PubChem CID55088206
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
SMILESCCCCOCCNCCOCC1CC=CCC1C
InChIInChI=1S/C16H31NO2/c1-3-4-11-18-12-9-17-10-13-19-14-16-8-6-5-7-15(16)2/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyNDAYVJPIPZHTGQ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.01
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-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine (CID 55088206) is 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine is CCCCOCCNCCOCC1CC=CCC1C.
What is the InChIKey of 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
The InChIKey is NDAYVJPIPZHTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-4-11-18-12-9-17-10-13-19-14-16-8-6-5-7-15(16)2/h5-6,15-17H,3-4,7-14H2,1-2H3.
What are the key properties of 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine is sourced from PubChem (CID 55088206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).