2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol

C17H31NO2 — CID 167255264

IUPAC2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol
SMILESCOC1(C)CC(C)(O)C2CN(CC3CCCCC3)CC21
InChIInChI=1S/C17H31NO2/c1-16(19)12-17(2,20-3)15-11-18(10-14(15)16)9-13-7-5-4-6-8-13/h13-15,19H,4-12H2,1-3H3
InChIKeyYCVWDQHKVQHTHM-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.67
Rot. Bonds3

About 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol

2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol (PubChem CID 167255264) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol
PubChem CID167255264
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol
SMILESCOC1(C)CC(C)(O)C2CN(CC3CCCCC3)CC21
InChIInChI=1S/C17H31NO2/c1-16(19)12-17(2,20-3)15-11-18(10-14(15)16)9-13-7-5-4-6-8-13/h13-15,19H,4-12H2,1-3H3
InChIKeyYCVWDQHKVQHTHM-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol?
The IUPAC name of 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol (CID 167255264) is 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol?
The canonical SMILES for 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol is COC1(C)CC(C)(O)C2CN(CC3CCCCC3)CC21.
What is the InChIKey of 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol?
The InChIKey is YCVWDQHKVQHTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-16(19)12-17(2,20-3)15-11-18(10-14(15)16)9-13-7-5-4-6-8-13/h13-15,19H,4-12H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol?
2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol has a molecular weight of 281.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol is sourced from PubChem (CID 167255264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).