3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide

C13H25N3O — CID 115559262

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N1CC2CCCC2C1
InChIInChI=1S/C13H25N3O/c1-15(2)13(17)6-12(7-14)16-8-10-4-3-5-11(10)9-16/h10-12H,3-9,14H2,1-2H3
InChIKeyRWYLMOVPNUWXAA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.52
Rot. Bonds4

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide (PubChem CID 115559262) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
PubChem CID115559262
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N1CC2CCCC2C1
InChIInChI=1S/C13H25N3O/c1-15(2)13(17)6-12(7-14)16-8-10-4-3-5-11(10)9-16/h10-12H,3-9,14H2,1-2H3
InChIKeyRWYLMOVPNUWXAA-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide 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 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide (CID 115559262) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide is CN(C)C(=O)CC(CN)N1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide?
The InChIKey is RWYLMOVPNUWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)13(17)6-12(7-14)16-8-10-4-3-5-11(10)9-16/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide has a molecular weight of 239.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide is sourced from PubChem (CID 115559262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).