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

C20H25N3 — CID 66911655

IUPACN-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine
SMILESCNCCc1cn(CCc2ccc(C)nc2)c2ccc(C)cc12
InChIInChI=1S/C20H25N3/c1-15-4-7-20-19(12-15)18(8-10-21-3)14-23(20)11-9-17-6-5-16(2)22-13-17/h4-7,12-14,21H,8-11H2,1-3H3
InChIKeyONZCMKLOSLSCRH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.66
Rot. Bonds6

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

N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine (PubChem CID 66911655) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine
PubChem CID66911655
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine
SMILESCNCCc1cn(CCc2ccc(C)nc2)c2ccc(C)cc12
InChIInChI=1S/C20H25N3/c1-15-4-7-20-19(12-15)18(8-10-21-3)14-23(20)11-9-17-6-5-16(2)22-13-17/h4-7,12-14,21H,8-11H2,1-3H3
InChIKeyONZCMKLOSLSCRH-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine (CID 66911655) is N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine is CNCCc1cn(CCc2ccc(C)nc2)c2ccc(C)cc12.
What is the InChIKey of N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine?
The InChIKey is ONZCMKLOSLSCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-15-4-7-20-19(12-15)18(8-10-21-3)14-23(20)11-9-17-6-5-16(2)22-13-17/h4-7,12-14,21H,8-11H2,1-3H3.
What are the key properties of N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine?
N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine has a molecular weight of 307.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]ethanamine is sourced from PubChem (CID 66911655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).