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

C17H26N2O — CID 116695944

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
SMILESNCC(O)(CCN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C17H26N2O/c18-13-17(20,16-7-2-1-3-8-16)9-10-19-11-14-5-4-6-15(14)12-19/h1-3,7-8,14-15,20H,4-6,9-13,18H2
InChIKeySGNCGQBVIRIZCE-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.95
Rot. Bonds5

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

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol (PubChem CID 116695944) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
PubChem CID116695944
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
SMILESNCC(O)(CCN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C17H26N2O/c18-13-17(20,16-7-2-1-3-8-16)9-10-19-11-14-5-4-6-15(14)12-19/h1-3,7-8,14-15,20H,4-6,9-13,18H2
InChIKeySGNCGQBVIRIZCE-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylbutan-2-ol
CID 103540862
1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
CID 116695850
1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
CID 116695777
1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
CID 106206889
2-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1,1-diphenylpropyl]-1,3,4-oxadiazole
CID 21483646
1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 64821785
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867
1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
CID 102887348
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112

Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol (CID 116695944) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol is NCC(O)(CCN1CC2CCCC2C1)c1ccccc1.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol?
The InChIKey is SGNCGQBVIRIZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-13-17(20,16-7-2-1-3-8-16)9-10-19-11-14-5-4-6-15(14)12-19/h1-3,7-8,14-15,20H,4-6,9-13,18H2.
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol is sourced from PubChem (CID 116695944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).