2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine

C15H26N4 — CID 83089268

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCCC2CCCC21
InChIInChI=1S/C15H26N4/c1-11-13(10-18(2)17-11)15(9-16)19-8-4-6-12-5-3-7-14(12)19/h10,12,14-15H,3-9,16H2,1-2H3
InChIKeyGGEMIEZKOSNNHV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 83089268) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID83089268
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCCC2CCCC21
InChIInChI=1S/C15H26N4/c1-11-13(10-18(2)17-11)15(9-16)19-8-4-6-12-5-3-7-14(12)19/h10,12,14-15H,3-9,16H2,1-2H3
InChIKeyGGEMIEZKOSNNHV-UHFFFAOYSA-N
XLogP1.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine 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 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 83089268) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(CN)N1CCCC2CCCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is GGEMIEZKOSNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11-13(10-18(2)17-11)15(9-16)19-8-4-6-12-5-3-7-14(12)19/h10,12,14-15H,3-9,16H2,1-2H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 83089268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).