6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine

C14H25NO2 — CID 142068853

IUPAC6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine
SMILESCNCCCCCCOC1=CC=CCC1OC
InChIInChI=1S/C14H25NO2/c1-15-11-7-3-4-8-12-17-14-10-6-5-9-13(14)16-2/h5-6,10,13,15H,3-4,7-9,11-12H2,1-2H3
InChIKeyWXMHQWLBBRJJTG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds9

About 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine

6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine (PubChem CID 142068853) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine
PubChem CID142068853
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine
SMILESCNCCCCCCOC1=CC=CCC1OC
InChIInChI=1S/C14H25NO2/c1-15-11-7-3-4-8-12-17-14-10-6-5-9-13(14)16-2/h5-6,10,13,15H,3-4,7-9,11-12H2,1-2H3
InChIKeyWXMHQWLBBRJJTG-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine?
The IUPAC name of 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine (CID 142068853) is 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine.
What is the SMILES notation for 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine?
The canonical SMILES for 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine is CNCCCCCCOC1=CC=CCC1OC.
What is the InChIKey of 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine?
The InChIKey is WXMHQWLBBRJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15-11-7-3-4-8-12-17-14-10-6-5-9-13(14)16-2/h5-6,10,13,15H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine?
6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine is sourced from PubChem (CID 142068853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).