1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine

C21H27N3 — CID 30218

IUPAC1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine
SMILESCc1ccc2c(c1)c(CN(C)C)c(C)n2CCc1ccc(C)nc1
InChIInChI=1S/C21H27N3/c1-15-6-9-21-19(12-15)20(14-23(4)5)17(3)24(21)11-10-18-8-7-16(2)22-13-18/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyVHUZBISWKICPRH-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.27
Rot. Bonds5

About 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine

1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 30218) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine
PubChem CID30218
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine
SMILESCc1ccc2c(c1)c(CN(C)C)c(C)n2CCc1ccc(C)nc1
InChIInChI=1S/C21H27N3/c1-15-6-9-21-19(12-15)20(14-23(4)5)17(3)24(21)11-10-18-8-7-16(2)22-13-18/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyVHUZBISWKICPRH-UHFFFAOYSA-N
XLogP4.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Triprolidine
CID 5282443
Gramine
CID 6890
6-Methylquinoline
CID 7059
Methyltryptamine
CID 6088
Ellipticine
CID 3213
Iprindole
CID 21722
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
Harman
CID 5281404
4-Methylquinoline
CID 10285

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine (CID 30218) is 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine is Cc1ccc2c(c1)c(CN(C)C)c(C)n2CCc1ccc(C)nc1.
What is the InChIKey of 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is VHUZBISWKICPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-15-6-9-21-19(12-15)20(14-23(4)5)17(3)24(21)11-10-18-8-7-16(2)22-13-18/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine?
1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 321.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 30218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).