ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C17H35NO — CID 142563523

IUPACethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC1CC2CN(CC3CCOCC3)CC2C1.CC.CC
InChIInChI=1S/C13H23NO.2C2H6/c1-2-12-9-14(10-13(12)3-1)8-11-4-6-15-7-5-11;2*1-2/h11-13H,1-10H2;2*1-2H3
InChIKeyCUZSQEKFUXOLBV-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.20
Rot. Bonds2

About ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 142563523) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Nameethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID142563523
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC1CC2CN(CC3CCOCC3)CC2C1.CC.CC
InChIInChI=1S/C13H23NO.2C2H6/c1-2-12-9-14(10-13(12)3-1)8-11-4-6-15-7-5-11;2*1-2/h11-13H,1-10H2;2*1-2H3
InChIKeyCUZSQEKFUXOLBV-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride
CID 119923993
4-(oxan-4-ylmethyl)morpholine
CID 122244931
CID 165403949
CID 165403949
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole
CID 121183831
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
4-chloro-3-methyl-1-(oxan-4-ylmethyl)piperidine
CID 114682309
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylmethanamine
CID 176871843
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823

Frequently Asked Questions

What is the IUPAC name of ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 142563523) is ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C1CC2CN(CC3CCOCC3)CC2C1.CC.CC.
What is the InChIKey of ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is CUZSQEKFUXOLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.2C2H6/c1-2-12-9-14(10-13(12)3-1)8-11-4-6-15-7-5-11;2*1-2/h11-13H,1-10H2;2*1-2H3.
What are the key properties of ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 269.47 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 142563523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).