2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine

C21H31N3 — CID 3045525

IUPAC2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine
SMILESCC(C)(N)Cc1[nH]c2ccccc2c1C1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H31N3/c1-19(2,22)13-17-18(15-9-7-8-10-16(15)23-17)14-11-20(3,4)24-21(5,6)12-14/h7-11,23-24H,12-13,22H2,1-6H3
InChIKeyIAXBNFPSCJTSFI-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.38
Rot. Bonds3

About 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine

2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine (PubChem CID 3045525) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine
PubChem CID3045525
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine
SMILESCC(C)(N)Cc1[nH]c2ccccc2c1C1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H31N3/c1-19(2,22)13-17-18(15-9-7-8-10-16(15)23-17)14-11-20(3,4)24-21(5,6)12-14/h7-11,23-24H,12-13,22H2,1-6H3
InChIKeyIAXBNFPSCJTSFI-UHFFFAOYSA-N
XLogP4.38
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine (CID 3045525) is 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine is CC(C)(N)Cc1[nH]c2ccccc2c1C1=CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine?
The InChIKey is IAXBNFPSCJTSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-19(2,22)13-17-18(15-9-7-8-10-16(15)23-17)14-11-20(3,4)24-21(5,6)12-14/h7-11,23-24H,12-13,22H2,1-6H3.
What are the key properties of 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine?
2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine has a molecular weight of 325.50 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine is sourced from PubChem (CID 3045525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).