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

C18H23N3 — CID 79244943

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2c3ccccc3CC2C)c1
InChIInChI=1S/C18H23N3/c1-3-9-19-16-8-10-20-17(12-16)13-21-14(2)11-15-6-4-5-7-18(15)21/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,19,20)
InChIKeyVWPTYJMCJDUUTP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.85
Rot. Bonds5

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

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 79244943) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
PubChem CID79244943
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2c3ccccc3CC2C)c1
InChIInChI=1S/C18H23N3/c1-3-9-19-16-8-10-20-17(12-16)13-21-14(2)11-15-6-4-5-7-18(15)21/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,19,20)
InChIKeyVWPTYJMCJDUUTP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine (CID 79244943) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN2c3ccccc3CC2C)c1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is VWPTYJMCJDUUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-9-19-16-8-10-20-17(12-16)13-21-14(2)11-15-6-4-5-7-18(15)21/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79244943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).