2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine

C15H27NO2 — CID 62572218

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC1CC=CCC1COCCNCC1CCCO1
InChIInChI=1S/C15H27NO2/c1-13-5-2-3-6-14(13)12-17-10-8-16-11-15-7-4-9-18-15/h2-3,13-16H,4-12H2,1H3
InChIKeyJAYKXYNAOYOCSU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.37
Rot. Bonds7

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

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62572218) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62572218
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC1CC=CCC1COCCNCC1CCCO1
InChIInChI=1S/C15H27NO2/c1-13-5-2-3-6-14(13)12-17-10-8-16-11-15-7-4-9-18-15/h2-3,13-16H,4-12H2,1H3
InChIKeyJAYKXYNAOYOCSU-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.37
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-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine (CID 62572218) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine is CC1CC=CCC1COCCNCC1CCCO1.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is JAYKXYNAOYOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13-5-2-3-6-14(13)12-17-10-8-16-11-15-7-4-9-18-15/h2-3,13-16H,4-12H2,1H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62572218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).