1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine

C12H17N3 — CID 170312540

IUPAC1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine
SMILESCCC(C)(C)n1c(N)cc2cnccc21
InChIInChI=1S/C12H17N3/c1-4-12(2,3)15-10-5-6-14-8-9(10)7-11(15)13/h5-8H,4,13H2,1-3H3
InChIKeyBVTGSYJNZFMZHG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine

1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine (PubChem CID 170312540) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine
PubChem CID170312540
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine
SMILESCCC(C)(C)n1c(N)cc2cnccc21
InChIInChI=1S/C12H17N3/c1-4-12(2,3)15-10-5-6-14-8-9(10)7-11(15)13/h5-8H,4,13H2,1-3H3
InChIKeyBVTGSYJNZFMZHG-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine?
The IUPAC name of 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine (CID 170312540) is 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine?
The canonical SMILES for 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine is CCC(C)(C)n1c(N)cc2cnccc21.
What is the InChIKey of 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine?
The InChIKey is BVTGSYJNZFMZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12(2,3)15-10-5-6-14-8-9(10)7-11(15)13/h5-8H,4,13H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine?
1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine is sourced from PubChem (CID 170312540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).