(5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine

C9H15N3 — CID 159281232

IUPAC(5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine
SMILESCN1CCC2=C(C1)C(CN)=NC2
InChIInChI=1S/C9H15N3/c1-12-3-2-7-5-11-9(4-10)8(7)6-12/h2-6,10H2,1H3
InChIKeyKYYCYUQCNNOZSJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.03
Rot. Bonds1

About (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine

(5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine (PubChem CID 159281232) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine
PubChem CID159281232
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine
SMILESCN1CCC2=C(C1)C(CN)=NC2
InChIInChI=1S/C9H15N3/c1-12-3-2-7-5-11-9(4-10)8(7)6-12/h2-6,10H2,1H3
InChIKeyKYYCYUQCNNOZSJ-UHFFFAOYSA-N
XLogP0.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 58386446
(3-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane
CID 59107048
3-Methyl-5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 131997923
3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 159866284
5-Tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 161314046
N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine
CID 163681124
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 177225549

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine?
The IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine (CID 159281232) is (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine.
What is the SMILES notation for (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine?
The canonical SMILES for (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine is CN1CCC2=C(C1)C(CN)=NC2.
What is the InChIKey of (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine?
The InChIKey is KYYCYUQCNNOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-3-2-7-5-11-9(4-10)8(7)6-12/h2-6,10H2,1H3.
What are the key properties of (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine?
(5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine is sourced from PubChem (CID 159281232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).