1-tert-butylpyrrolo[2,3-c]pyridin-7-amine

C11H15N3 — CID 169302613

IUPAC1-tert-butylpyrrolo[2,3-c]pyridin-7-amine
SMILESCC(C)(C)n1ccc2ccnc(N)c21
InChIInChI=1S/C11H15N3/c1-11(2,3)14-7-5-8-4-6-13-10(12)9(8)14/h4-7H,1-3H3,(H2,12,13)
InChIKeyLLDJYPSHIYEBPC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.37
Rot. Bonds

About 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine

1-tert-butylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 169302613) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name1-tert-butylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID169302613
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-tert-butylpyrrolo[2,3-c]pyridin-7-amine
SMILESCC(C)(C)n1ccc2ccnc(N)c21
InChIInChI=1S/C11H15N3/c1-11(2,3)14-7-5-8-4-6-13-10(12)9(8)14/h4-7H,1-3H3,(H2,12,13)
InChIKeyLLDJYPSHIYEBPC-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine (CID 169302613) is 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine is CC(C)(C)n1ccc2ccnc(N)c21.
What is the InChIKey of 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is LLDJYPSHIYEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)14-7-5-8-4-6-13-10(12)9(8)14/h4-7H,1-3H3,(H2,12,13).
What are the key properties of 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine?
1-tert-butylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 189.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 169302613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).