6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine

C16H23NO — CID 81421243

IUPAC6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCNC1C2CCc3cc(OC)ccc3C2C1(C)C
InChIInChI=1S/C16H23NO/c1-16(2)14-12-8-6-11(18-4)9-10(12)5-7-13(14)15(16)17-3/h6,8-9,13-15,17H,5,7H2,1-4H3
InChIKeyUXQSGWKLTLPMEH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.97
Rot. Bonds2

About 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine

6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (PubChem CID 81421243) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.

Molecular Properties

Compound Name6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
PubChem CID81421243
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCNC1C2CCc3cc(OC)ccc3C2C1(C)C
InChIInChI=1S/C16H23NO/c1-16(2)14-12-8-6-11(18-4)9-10(12)5-7-13(14)15(16)17-3/h6,8-9,13-15,17H,5,7H2,1-4H3
InChIKeyUXQSGWKLTLPMEH-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine with MolForge

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Related Compounds

N,1,1-triethyl-6-methoxy-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 81422677
1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 81422543
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
(8S,13R,14R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 59912580
(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 15251354
(8R,9S,13R,14S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 101235253
(8S,9S,13R,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 14055916
(8S,9S,13R,14S,17S)-3-methoxy-13,17-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 59630580
(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262
(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 22796837
(8R,9S,13S,14S)-3,17,17-trimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 15718548
(3R)-14-methoxy-7-methylpentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),12,14-trien-6-ol
CID 70991557

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The IUPAC name of 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (CID 81421243) is 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.
What is the SMILES notation for 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The canonical SMILES for 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is CNC1C2CCc3cc(OC)ccc3C2C1(C)C.
What is the InChIKey of 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The InChIKey is UXQSGWKLTLPMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)14-12-8-6-11(18-4)9-10(12)5-7-13(14)15(16)17-3/h6,8-9,13-15,17H,5,7H2,1-4H3.
What are the key properties of 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is sourced from PubChem (CID 81421243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).