(3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine

C15H24N2 — CID 170522547

IUPAC(3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCc1cc(C(C)C)c2c(n1)[C@H](C)CN2C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)13-7-12(6)16-14-11(5)8-17(10(3)4)15(13)14/h7,9-11H,8H2,1-6H3/t11-/m1/s1
InChIKeyBUUUWQYSMXFSBK-LLVKDONJSA-N
MW232.37 g/mol
LogP3.85
Rot. Bonds2

About (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine

(3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 170522547) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name(3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
PubChem CID170522547
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCc1cc(C(C)C)c2c(n1)[C@H](C)CN2C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)13-7-12(6)16-14-11(5)8-17(10(3)4)15(13)14/h7,9-11H,8H2,1-6H3/t11-/m1/s1
InChIKeyBUUUWQYSMXFSBK-LLVKDONJSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S,5R,6R)-3,4,5,6,7,8-hexamethyl-1,10-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-1-benzazocine
CID 170522521
(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
CID 170522616
2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine
CID 170522688
(2R)-1,2,7,8-tetramethyl-4,5-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
CID 170522839
(8S,9S)-2,8,9-trimethyl-4,5-di(propan-2-yl)-8,9-dihydrothiepino[4,5-b]pyridine
CID 170522573
3-chloro-2,6-dimethyl-4-propan-2-ylpyridine
CID 161364296
(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine
CID 170522830
(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine
CID 170522582
2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine
CID 174197393
2-methylpropane;6-methyl-4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine
CID 156859530
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
2,4-dimethyl-3-[(2R)-2-methyl-3-propan-2-yl-2H-imidazol-1-yl]-6-propan-2-ylpyridine;3-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2,4,6-trimethylpyridine;3-[(2R)-3-(2,6-diphenylphenyl)-2-methyl-2H-imidazol-1-yl]-2,4,6-trimethylpyridine;3-[(2R)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,4,6-trimethylpyridine
CID 160641468

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine (CID 170522547) is (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine is Cc1cc(C(C)C)c2c(n1)[C@H](C)CN2C(C)C.
What is the InChIKey of (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is BUUUWQYSMXFSBK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N2/c1-9(2)13-7-12(6)16-14-11(5)8-17(10(3)4)15(13)14/h7,9-11H,8H2,1-6H3/t11-/m1/s1.
What are the key properties of (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
(3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethyl-1,7-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 170522547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).