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

C15H30N2O — CID 113336335

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCN1CC2CCCC2C1
InChIInChI=1S/C15H30N2O/c1-3-16-15(2,12-18)8-5-9-17-10-13-6-4-7-14(13)11-17/h13-14,16,18H,3-12H2,1-2H3
InChIKeyFLNUEXYOGRBEBU-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds7

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

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 113336335) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID113336335
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCN1CC2CCCC2C1
InChIInChI=1S/C15H30N2O/c1-3-16-15(2,12-18)8-5-9-17-10-13-6-4-7-14(13)11-17/h13-14,16,18H,3-12H2,1-2H3
InChIKeyFLNUEXYOGRBEBU-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489
5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64827442
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809795
6-(azocan-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64796025
2-(ethylamino)-2-methyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 64787059
4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 103540799
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839
5-[cyclopentyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64798547

Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol (CID 113336335) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CCCN1CC2CCCC2C1.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is FLNUEXYOGRBEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-15(2,12-18)8-5-9-17-10-13-6-4-7-14(13)11-17/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 113336335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).