1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine

C11H17N3 — CID 89333158

IUPAC1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c[nH]c2c1=NCCC=2
InChIInChI=1S/C11H17N3/c1-11(2,12)6-8-7-14-9-4-3-5-13-10(8)9/h4,7,14H,3,5-6,12H2,1-2H3
InChIKeyQWVRCMONZGZWIZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.10
Rot. Bonds2

About 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine

1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine (PubChem CID 89333158) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine
PubChem CID89333158
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c[nH]c2c1=NCCC=2
InChIInChI=1S/C11H17N3/c1-11(2,12)6-8-7-14-9-4-3-5-13-10(8)9/h4,7,14H,3,5-6,12H2,1-2H3
InChIKeyQWVRCMONZGZWIZ-UHFFFAOYSA-N
XLogP0.10
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine (CID 89333158) is 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1c[nH]c2c1=NCCC=2.
What is the InChIKey of 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine?
The InChIKey is QWVRCMONZGZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,12)6-8-7-14-9-4-3-5-13-10(8)9/h4,7,14H,3,5-6,12H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine?
1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine has a molecular weight of 191.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 89333158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).