4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine

C16H19N3 — CID 67152084

IUPAC4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine
SMILESCc1cc2c(c(C)c1N)CCN2Cc1cccnc1
InChIInChI=1S/C16H19N3/c1-11-8-15-14(12(2)16(11)17)5-7-19(15)10-13-4-3-6-18-9-13/h3-4,6,8-9H,5,7,10,17H2,1-2H3
InChIKeyKHENGYSKBAIWSZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.84
Rot. Bonds2

About 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine

4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine (PubChem CID 67152084) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine
PubChem CID67152084
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine
SMILESCc1cc2c(c(C)c1N)CCN2Cc1cccnc1
InChIInChI=1S/C16H19N3/c1-11-8-15-14(12(2)16(11)17)5-7-19(15)10-13-4-3-6-18-9-13/h3-4,6,8-9H,5,7,10,17H2,1-2H3
InChIKeyKHENGYSKBAIWSZ-UHFFFAOYSA-N
XLogP2.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine?
The IUPAC name of 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine (CID 67152084) is 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine?
The canonical SMILES for 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine is Cc1cc2c(c(C)c1N)CCN2Cc1cccnc1.
What is the InChIKey of 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine?
The InChIKey is KHENGYSKBAIWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-8-15-14(12(2)16(11)17)5-7-19(15)10-13-4-3-6-18-9-13/h3-4,6,8-9H,5,7,10,17H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine?
4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine has a molecular weight of 253.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 67152084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).