N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine

C17H21N3 — CID 81248946

IUPACN-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1N1CCc2ccccc21
InChIInChI=1S/C17H21N3/c1-13(2)19-12-15-11-18-9-7-17(15)20-10-8-14-5-3-4-6-16(14)20/h3-7,9,11,13,19H,8,10,12H2,1-2H3
InChIKeyVIANNZGXFLQEDJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.27
Rot. Bonds4

About N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81248946) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81248946
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1N1CCc2ccccc21
InChIInChI=1S/C17H21N3/c1-13(2)19-12-15-11-18-9-7-17(15)20-10-8-14-5-3-4-6-16(14)20/h3-7,9,11,13,19H,8,10,12H2,1-2H3
InChIKeyVIANNZGXFLQEDJ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81248353
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81249037
N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388865
N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668
N-[[4-(2,3-dihydroindol-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135686
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 43281003
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine
CID 81248268
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247566
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81247579
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81248946) is N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1N1CCc2ccccc21.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is VIANNZGXFLQEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13(2)19-12-15-11-18-9-7-17(15)20-10-8-14-5-3-4-6-16(14)20/h3-7,9,11,13,19H,8,10,12H2,1-2H3.
What are the key properties of N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81248946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).