1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol

C13H21N3O — CID 62332661

IUPAC1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc2c(cc1CN)CCC2
InChIInChI=1S/C13H21N3O/c1-9(17)8-16(2)13-11(7-14)6-10-4-3-5-12(10)15-13/h6,9,17H,3-5,7-8,14H2,1-2H3
InChIKeyFYYVTUHKQORKRQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.85
Rot. Bonds4

About 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol

1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol (PubChem CID 62332661) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol
PubChem CID62332661
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc2c(cc1CN)CCC2
InChIInChI=1S/C13H21N3O/c1-9(17)8-16(2)13-11(7-14)6-10-4-3-5-12(10)15-13/h6,9,17H,3-5,7-8,14H2,1-2H3
InChIKeyFYYVTUHKQORKRQ-UHFFFAOYSA-N
XLogP0.85
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol (CID 62332661) is 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol is CC(O)CN(C)c1nc2c(cc1CN)CCC2.
What is the InChIKey of 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol?
The InChIKey is FYYVTUHKQORKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(17)8-16(2)13-11(7-14)6-10-4-3-5-12(10)15-13/h6,9,17H,3-5,7-8,14H2,1-2H3.
What are the key properties of 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol?
1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 62332661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).