2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

C16H21N3 — CID 54300050

IUPAC2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCc1cccc2c(C3=CCN(CCN)CC3)c[nH]c12
InChIInChI=1S/C16H21N3/c1-12-3-2-4-14-15(11-18-16(12)14)13-5-8-19(9-6-13)10-7-17/h2-5,11,18H,6-10,17H2,1H3
InChIKeySDODDYVPIYEYDI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 54300050) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID54300050
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCc1cccc2c(C3=CCN(CCN)CC3)c[nH]c12
InChIInChI=1S/C16H21N3/c1-12-3-2-4-14-15(11-18-16(12)14)13-5-8-19(9-6-13)10-7-17/h2-5,11,18H,6-10,17H2,1H3
InChIKeySDODDYVPIYEYDI-UHFFFAOYSA-N
XLogP2.52
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 54300050) is 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is Cc1cccc2c(C3=CCN(CCN)CC3)c[nH]c12.
What is the InChIKey of 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is SDODDYVPIYEYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-2-4-14-15(11-18-16(12)14)13-5-8-19(9-6-13)10-7-17/h2-5,11,18H,6-10,17H2,1H3.
What are the key properties of 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 54300050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).