3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine

C16H22N2O2 — CID 162388725

IUPAC3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCOc1cc(OC)c2c(ccn2C2CC(N(C)C)C2)c1
InChIInChI=1S/C16H22N2O2/c1-17(2)12-8-13(9-12)18-6-5-11-7-14(19-3)10-15(20-4)16(11)18/h5-7,10,12-13H,8-9H2,1-4H3
InChIKeyCQGKFPUWZMUIFF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.92
Rot. Bonds4

About 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine

3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 162388725) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
PubChem CID162388725
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCOc1cc(OC)c2c(ccn2C2CC(N(C)C)C2)c1
InChIInChI=1S/C16H22N2O2/c1-17(2)12-8-13(9-12)18-6-5-11-7-14(19-3)10-15(20-4)16(11)18/h5-7,10,12-13H,8-9H2,1-4H3
InChIKeyCQGKFPUWZMUIFF-UHFFFAOYSA-N
XLogP2.92
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162388706
3-(7-methoxy-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389212
(2S)-2-(5-methoxy-7-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 170003091
5,7-dimethoxyindol-1-amine
CID 96624254
2-(5,7-dimethoxyindol-1-yl)ethanamine
CID 82494071
4-(5,7-dimethoxyindol-1-yl)butan-1-amine
CID 83968623
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
2-(7-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389252
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,4-dimethoxy-N-methylbenzamide
CID 134705360
6,8-dimethoxy-2-methylquinoline
CID 14936500
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine (CID 162388725) is 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine is COc1cc(OC)c2c(ccn2C2CC(N(C)C)C2)c1.
What is the InChIKey of 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is CQGKFPUWZMUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17(2)12-8-13(9-12)18-6-5-11-7-14(19-3)10-15(20-4)16(11)18/h5-7,10,12-13H,8-9H2,1-4H3.
What are the key properties of 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 162388725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).