N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine

C16H19N3 — CID 80650370

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCc1cccc2c1NCC2)c1cccnc1
InChIInChI=1S/C16H19N3/c1-12(14-6-3-8-17-10-14)19-11-15-5-2-4-13-7-9-18-16(13)15/h2-6,8,10,12,18-19H,7,9,11H2,1H3
InChIKeyKMHAAJILNPRLCU-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.90
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine (PubChem CID 80650370) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
PubChem CID80650370
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCc1cccc2c1NCC2)c1cccnc1
InChIInChI=1S/C16H19N3/c1-12(14-6-3-8-17-10-14)19-11-15-5-2-4-13-7-9-18-16(13)15/h2-6,8,10,12,18-19H,7,9,11H2,1H3
InChIKeyKMHAAJILNPRLCU-UHFFFAOYSA-N
XLogP2.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine (CID 80650370) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine is CC(NCc1cccc2c1NCC2)c1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine?
The InChIKey is KMHAAJILNPRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12(14-6-3-8-17-10-14)19-11-15-5-2-4-13-7-9-18-16(13)15/h2-6,8,10,12,18-19H,7,9,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 80650370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).