2,3-dihydro-1H-indole;N-methylpyridin-3-amine

C14H17N3 — CID 174844526

IUPAC2,3-dihydro-1H-indole;N-methylpyridin-3-amine
SMILESCNc1cccnc1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C6H8N2/c1-2-4-8-7(3-1)5-6-9-8;1-7-6-3-2-4-8-5-6/h1-4,9H,5-6H2;2-5,7H,1H3
InChIKeyUPOOYOBTTIQDRA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds1

About 2,3-dihydro-1H-indole;N-methylpyridin-3-amine

2,3-dihydro-1H-indole;N-methylpyridin-3-amine (PubChem CID 174844526) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;N-methylpyridin-3-amine.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;N-methylpyridin-3-amine
PubChem CID174844526
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2,3-dihydro-1H-indole;N-methylpyridin-3-amine
SMILESCNc1cccnc1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C6H8N2/c1-2-4-8-7(3-1)5-6-9-8;1-7-6-3-2-4-8-5-6/h1-4,9H,5-6H2;2-5,7H,1H3
InChIKeyUPOOYOBTTIQDRA-UHFFFAOYSA-N
XLogP2.78
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indole;pyridine
CID 160958359
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2,3-dihydro-1H-indole;ethanamine
CID 23296774
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
2,3-dihydro-1H-indole;N-methylformamide;propane
CID 170578965
2,3-dihydro-1H-indole;piperidine;pyrimidine
CID 174668037
1H-azepine;2,3-dihydro-1H-indole
CID 159350025
2,3-dihydro-1H-indole;methyl acetate
CID 160533023
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;N-methylpyridin-3-amine?
The IUPAC name of 2,3-dihydro-1H-indole;N-methylpyridin-3-amine (CID 174844526) is 2,3-dihydro-1H-indole;N-methylpyridin-3-amine.
What is the SMILES notation for 2,3-dihydro-1H-indole;N-methylpyridin-3-amine?
The canonical SMILES for 2,3-dihydro-1H-indole;N-methylpyridin-3-amine is CNc1cccnc1.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;N-methylpyridin-3-amine?
The InChIKey is UPOOYOBTTIQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C6H8N2/c1-2-4-8-7(3-1)5-6-9-8;1-7-6-3-2-4-8-5-6/h1-4,9H,5-6H2;2-5,7H,1H3.
What are the key properties of 2,3-dihydro-1H-indole;N-methylpyridin-3-amine?
2,3-dihydro-1H-indole;N-methylpyridin-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;N-methylpyridin-3-amine is sourced from PubChem (CID 174844526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).