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

C18H23N3 — CID 62286314

IUPACN-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1c2ccccc2CC1C
InChIInChI=1S/C18H23N3/c1-3-10-19-13-16-8-6-11-20-18(16)21-14(2)12-15-7-4-5-9-17(15)21/h4-9,11,14,19H,3,10,12-13H2,1-2H3
InChIKeyMLVRRSQDXHVUOH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.66
Rot. Bonds5

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

N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62286314) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62286314
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1c2ccccc2CC1C
InChIInChI=1S/C18H23N3/c1-3-10-19-13-16-8-6-11-20-18(16)21-14(2)12-15-7-4-5-9-17(15)21/h4-9,11,14,19H,3,10,12-13H2,1-2H3
InChIKeyMLVRRSQDXHVUOH-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62776416
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294414
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574658
N-(3-formamidopropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574667
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574692
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
(4-ethylpiperazin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanone
CID 84574669

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62286314) is N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1N1c2ccccc2CC1C.
What is the InChIKey of N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is MLVRRSQDXHVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-10-19-13-16-8-6-11-20-18(16)21-14(2)12-15-7-4-5-9-17(15)21/h4-9,11,14,19H,3,10,12-13H2,1-2H3.
What are the key properties of N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62286314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).