3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine

C16H22N2O — CID 162389212

IUPAC3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCOc1c(C)ccc2ccn(C3CC(N(C)C)C3)c12
InChIInChI=1S/C16H22N2O/c1-11-5-6-12-7-8-18(15(12)16(11)19-4)14-9-13(10-14)17(2)3/h5-8,13-14H,9-10H2,1-4H3
InChIKeyXYLHJULGFTYXED-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.22
Rot. Bonds3

About 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine

3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 162389212) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine
PubChem CID162389212
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCOc1c(C)ccc2ccn(C3CC(N(C)C)C3)c12
InChIInChI=1S/C16H22N2O/c1-11-5-6-12-7-8-18(15(12)16(11)19-4)14-9-13(10-14)17(2)3/h5-8,13-14H,9-10H2,1-4H3
InChIKeyXYLHJULGFTYXED-UHFFFAOYSA-N
XLogP3.22
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162388706
N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine
CID 162388724
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
(2S)-2-(5-methoxy-7-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 170003091
2-(7-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389252
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
2-(6,7-difluoroindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162389155
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
CID 91606345
2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162388864
1,6-dimethoxy-2,7-dimethylnaphthalene
CID 146605331
1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
CID 162389294
2-(5-fluoro-6-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162388833

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine (CID 162389212) is 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine is COc1c(C)ccc2ccn(C3CC(N(C)C)C3)c12.
What is the InChIKey of 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is XYLHJULGFTYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-6-12-7-8-18(15(12)16(11)19-4)14-9-13(10-14)17(2)3/h5-8,13-14H,9-10H2,1-4H3.
What are the key properties of 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 162389212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).