2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol

C12H24N2O — CID 104840500

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol
SMILESCCC(N)C(CO)N1CC2CCCC2C1
InChIInChI=1S/C12H24N2O/c1-2-11(13)12(8-15)14-6-9-4-3-5-10(9)7-14/h9-12,15H,2-8,13H2,1H3
InChIKeyQMZHYKWSARQESH-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.82
Rot. Bonds4

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol (PubChem CID 104840500) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol
PubChem CID104840500
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol
SMILESCCC(N)C(CO)N1CC2CCCC2C1
InChIInChI=1S/C12H24N2O/c1-2-11(13)12(8-15)14-6-9-4-3-5-10(9)7-14/h9-12,15H,2-8,13H2,1H3
InChIKeyQMZHYKWSARQESH-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol
CID 114357560
3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol
CID 103532598
3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 104840510
3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 102965675
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 113459495
3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 104840511
3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol
CID 104840464
3-amino-2-(4-methoxypiperidin-1-yl)pentan-1-ol
CID 104840321
3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
CID 104840411
3-amino-2-morpholin-4-ylpentan-1-ol
CID 104840278
3-amino-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-ol
CID 104840298
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol
CID 131167890

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol (CID 104840500) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol is CCC(N)C(CO)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol?
The InChIKey is QMZHYKWSARQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-11(13)12(8-15)14-6-9-4-3-5-10(9)7-14/h9-12,15H,2-8,13H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol is sourced from PubChem (CID 104840500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).