(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine

C12H17N3 — CID 84671774

IUPAC(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCC(C)c1c(CN)c2cccnc2n1C
InChIInChI=1S/C12H17N3/c1-8(2)11-10(7-13)9-5-4-6-14-12(9)15(11)3/h4-6,8H,7,13H2,1-3H3
InChIKeyWPGBPWJLTYTEOE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.16
Rot. Bonds2

About (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine

(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 84671774) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
PubChem CID84671774
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCC(C)c1c(CN)c2cccnc2n1C
InChIInChI=1S/C12H17N3/c1-8(2)11-10(7-13)9-5-4-6-14-12(9)15(11)3/h4-6,8H,7,13H2,1-3H3
InChIKeyWPGBPWJLTYTEOE-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The IUPAC name of (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine (CID 84671774) is (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine.
What is the SMILES notation for (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The canonical SMILES for (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine is CC(C)c1c(CN)c2cccnc2n1C.
What is the InChIKey of (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The InChIKey is WPGBPWJLTYTEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)11-10(7-13)9-5-4-6-14-12(9)15(11)3/h4-6,8H,7,13H2,1-3H3.
What are the key properties of (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 203.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 84671774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).