2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine

C14H23NO2 — CID 130373080

IUPAC2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine
SMILESCC1C(OCC2CCC2)=CC=CC1OCCN
InChIInChI=1S/C14H23NO2/c1-11-13(16-9-8-15)6-3-7-14(11)17-10-12-4-2-5-12/h3,6-7,11-13H,2,4-5,8-10,15H2,1H3
InChIKeyPPLKLPCSUOUFRM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.24
Rot. Bonds6

About 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine

2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine (PubChem CID 130373080) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine
PubChem CID130373080
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine
SMILESCC1C(OCC2CCC2)=CC=CC1OCCN
InChIInChI=1S/C14H23NO2/c1-11-13(16-9-8-15)6-3-7-14(11)17-10-12-4-2-5-12/h3,6-7,11-13H,2,4-5,8-10,15H2,1H3
InChIKeyPPLKLPCSUOUFRM-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine?
The IUPAC name of 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine (CID 130373080) is 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine.
What is the SMILES notation for 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine?
The canonical SMILES for 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine is CC1C(OCC2CCC2)=CC=CC1OCCN.
What is the InChIKey of 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine?
The InChIKey is PPLKLPCSUOUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-13(16-9-8-15)6-3-7-14(11)17-10-12-4-2-5-12/h3,6-7,11-13H,2,4-5,8-10,15H2,1H3.
What are the key properties of 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine?
2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine is sourced from PubChem (CID 130373080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).