2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine

C11H18N4 — CID 112710006

IUPAC2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine
SMILESCC(CN)Nc1cc2c(cn1)CN(C)C2
InChIInChI=1S/C11H18N4/c1-8(4-12)14-11-3-9-6-15(2)7-10(9)5-13-11/h3,5,8H,4,6-7,12H2,1-2H3,(H,13,14)
InChIKeyJBTTYCDDXWOWKJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.79
Rot. Bonds3

About 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine

2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine (PubChem CID 112710006) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine
PubChem CID112710006
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine
SMILESCC(CN)Nc1cc2c(cn1)CN(C)C2
InChIInChI=1S/C11H18N4/c1-8(4-12)14-11-3-9-6-15(2)7-10(9)5-13-11/h3,5,8H,4,6-7,12H2,1-2H3,(H,13,14)
InChIKeyJBTTYCDDXWOWKJ-UHFFFAOYSA-N
XLogP0.79
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine (CID 112710006) is 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine is CC(CN)Nc1cc2c(cn1)CN(C)C2.
What is the InChIKey of 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine?
The InChIKey is JBTTYCDDXWOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(4-12)14-11-3-9-6-15(2)7-10(9)5-13-11/h3,5,8H,4,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine?
2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 112710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).