6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine

C15H25NO2 — CID 176983957

IUPAC6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine
SMILESCOC1C=C(OC2C(C)(C)CC2(C)C)C=CC1N
InChIInChI=1S/C15H25NO2/c1-14(2)9-15(3,4)13(14)18-10-6-7-11(16)12(8-10)17-5/h6-8,11-13H,9,16H2,1-5H3
InChIKeyRQVIZVVUKNGGLG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds3

About 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine

6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine (PubChem CID 176983957) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine
PubChem CID176983957
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine
SMILESCOC1C=C(OC2C(C)(C)CC2(C)C)C=CC1N
InChIInChI=1S/C15H25NO2/c1-14(2)9-15(3,4)13(14)18-10-6-7-11(16)12(8-10)17-5/h6-8,11-13H,9,16H2,1-5H3
InChIKeyRQVIZVVUKNGGLG-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(Cyclobutylmethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanamine
CID 130373080
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
CID 142810533

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine (CID 176983957) is 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine is COC1C=C(OC2C(C)(C)CC2(C)C)C=CC1N.
What is the InChIKey of 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine?
The InChIKey is RQVIZVVUKNGGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2)9-15(3,4)13(14)18-10-6-7-11(16)12(8-10)17-5/h6-8,11-13H,9,16H2,1-5H3.
What are the key properties of 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine?
6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 176983957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).