3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine

C15H20N2O — CID 162388706

IUPAC3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCOc1ccc2ccn(C3CC(N(C)C)C3)c2c1
InChIInChI=1S/C15H20N2O/c1-16(2)12-8-13(9-12)17-7-6-11-4-5-14(18-3)10-15(11)17/h4-7,10,12-13H,8-9H2,1-3H3
InChIKeyNPKKTUQFCMBZKC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.91
Rot. Bonds3

About 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine

3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 162388706) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
PubChem CID162388706
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCOc1ccc2ccn(C3CC(N(C)C)C3)c2c1
InChIInChI=1S/C15H20N2O/c1-16(2)12-8-13(9-12)17-7-6-11-4-5-14(18-3)10-15(11)17/h4-7,10,12-13H,8-9H2,1-3H3
InChIKeyNPKKTUQFCMBZKC-UHFFFAOYSA-N
XLogP2.91
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162388725
3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389212
6-methoxyindol-1-amine
CID 11816030
6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane
CID 162389144
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
CID 22038151
3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one
CID 154352428
6-bromo-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indole
CID 139805683
(1-piperidin-4-ylindol-6-yl) acetate
CID 174552540
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
6-methoxy-1-(oxan-4-ylmethyl)indole
CID 171704295
(2S)-2-(5-methoxy-7-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 170003091
1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
CID 141163156

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine (CID 162388706) is 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine is COc1ccc2ccn(C3CC(N(C)C)C3)c2c1.
What is the InChIKey of 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is NPKKTUQFCMBZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16(2)12-8-13(9-12)17-7-6-11-4-5-14(18-3)10-15(11)17/h4-7,10,12-13H,8-9H2,1-3H3.
What are the key properties of 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 162388706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).