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

C19H29NO — CID 81422543

IUPAC1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCCCNC1C2CCc3cc(OC)ccc3C2C1(C)CC
InChIInChI=1S/C19H29NO/c1-5-11-20-18-16-9-7-13-12-14(21-4)8-10-15(13)17(16)19(18,3)6-2/h8,10,12,16-18,20H,5-7,9,11H2,1-4H3
InChIKeyGCQRFIVFESTSAH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.14
Rot. Bonds5

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

1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (PubChem CID 81422543) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.

Molecular Properties

Compound Name1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
PubChem CID81422543
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCCCNC1C2CCc3cc(OC)ccc3C2C1(C)CC
InChIInChI=1S/C19H29NO/c1-5-11-20-18-16-9-7-13-12-14(21-4)8-10-15(13)17(16)19(18,3)6-2/h8,10,12,16-18,20H,5-7,9,11H2,1-4H3
InChIKeyGCQRFIVFESTSAH-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-6-methoxy-1-methyl-N-propyl-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
6-methoxy-N,1,1-trimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 81421243
[6-methoxy-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64814688
1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 81422829
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82006055
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
(8S,9S,13S,14S,17R)-17-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CID 163052602
2-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylethanamine
CID 83985302
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 130014165
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The IUPAC name of 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (CID 81422543) is 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.
What is the SMILES notation for 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The canonical SMILES for 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is CCCNC1C2CCc3cc(OC)ccc3C2C1(C)CC.
What is the InChIKey of 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The InChIKey is GCQRFIVFESTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-11-20-18-16-9-7-13-12-14(21-4)8-10-15(13)17(16)19(18,3)6-2/h8,10,12,16-18,20H,5-7,9,11H2,1-4H3.
What are the key properties of 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is sourced from PubChem (CID 81422543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).