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

C12H24N2O — CID 177148578

IUPAC2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol
SMILESCC(C)N1CC2CC(NCCO)CC2C1
InChIInChI=1S/C12H24N2O/c1-9(2)14-7-10-5-12(13-3-4-15)6-11(10)8-14/h9-13,15H,3-8H2,1-2H3
InChIKeyLXHKHOQKMQUBQR-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.69
Rot. Bonds4

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

2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol (PubChem CID 177148578) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol
PubChem CID177148578
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol
SMILESCC(C)N1CC2CC(NCCO)CC2C1
InChIInChI=1S/C12H24N2O/c1-9(2)14-7-10-5-12(13-3-4-15)6-11(10)8-14/h9-13,15H,3-8H2,1-2H3
InChIKeyLXHKHOQKMQUBQR-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol?
The IUPAC name of 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol (CID 177148578) is 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol is CC(C)N1CC2CC(NCCO)CC2C1.
What is the InChIKey of 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol?
The InChIKey is LXHKHOQKMQUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)14-7-10-5-12(13-3-4-15)6-11(10)8-14/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol?
2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol is sourced from PubChem (CID 177148578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).