[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol

C15H27NO — CID 113336189

IUPAC[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
SMILESOCC1(CN2CC3CCCC3C2)CCCCC1
InChIInChI=1S/C15H27NO/c17-12-15(7-2-1-3-8-15)11-16-9-13-5-4-6-14(13)10-16/h13-14,17H,1-12H2
InChIKeyBRFOPJRBUCDLQG-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.66
Rot. Bonds3

About [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol

[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol (PubChem CID 113336189) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
PubChem CID113336189
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
SMILESOCC1(CN2CC3CCCC3C2)CCCCC1
InChIInChI=1S/C15H27NO/c17-12-15(7-2-1-3-8-15)11-16-9-13-5-4-6-14(13)10-16/h13-14,17H,1-12H2
InChIKeyBRFOPJRBUCDLQG-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol?
The IUPAC name of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol (CID 113336189) is [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol is OCC1(CN2CC3CCCC3C2)CCCCC1.
What is the InChIKey of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol?
The InChIKey is BRFOPJRBUCDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-12-15(7-2-1-3-8-15)11-16-9-13-5-4-6-14(13)10-16/h13-14,17H,1-12H2.
What are the key properties of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol?
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol has a molecular weight of 237.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 113336189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).