2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine

C13H19N3 — CID 66412030

IUPAC2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
SMILESCn1cc(CNC(C)(C)C)c2cccnc21
InChIInChI=1S/C13H19N3/c1-13(2,3)15-8-10-9-16(4)12-11(10)6-5-7-14-12/h5-7,9,15H,8H2,1-4H3
InChIKeyZHDUIWUPMMVQKJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine

2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine (PubChem CID 66412030) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
PubChem CID66412030
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
SMILESCn1cc(CNC(C)(C)C)c2cccnc21
InChIInChI=1S/C13H19N3/c1-13(2,3)15-8-10-9-16(4)12-11(10)6-5-7-14-12/h5-7,9,15H,8H2,1-4H3
InChIKeyZHDUIWUPMMVQKJ-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine (CID 66412030) is 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine is Cn1cc(CNC(C)(C)C)c2cccnc21.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
The InChIKey is ZHDUIWUPMMVQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(2,3)15-8-10-9-16(4)12-11(10)6-5-7-14-12/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 66412030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).