3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine

C67H135N5O5 — CID 158578107

IUPAC3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine
SMILESCC(C)C1=CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCOC1.CC(C)N1CCC2OCCC21.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1CO.COC1CCN(C(C)C)C1
InChIInChI=1S/C9H17NO.C9H19N.C9H18.C9H16.C8H17NO2.C8H17NO.C8H17N.C7H14O/c1-7(2)10-5-3-9-8(10)4-6-11-9;1-9(2)10-7-5-3-4-6-8-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-3-4-11-6-8(9)5-10;1-7(2)9-5-4-8(6-9)10-3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7/h7-9H,3-6H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyHSXHOIUJPDYEIC-UHFFFAOYSA-N
MW1090.85 g/mol
LogP14.66
Rot. Bonds10

About 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine

3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine (PubChem CID 158578107) has the molecular formula C67H135N5O5 and a molecular weight of 1090.85 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine
PubChem CID158578107
Molecular FormulaC67H135N5O5
Molecular Weight1090.85 g/mol
Exact Mass1090.05
IUPAC Name3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine
SMILESCC(C)C1=CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCOC1.CC(C)N1CCC2OCCC21.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1CO.COC1CCN(C(C)C)C1
InChIInChI=1S/C9H17NO.C9H19N.C9H18.C9H16.C8H17NO2.C8H17NO.C8H17N.C7H14O/c1-7(2)10-5-3-9-8(10)4-6-11-9;1-9(2)10-7-5-3-4-6-8-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-3-4-11-6-8(9)5-10;1-7(2)9-5-4-8(6-9)10-3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7/h7-9H,3-6H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyHSXHOIUJPDYEIC-UHFFFAOYSA-N
XLogP14.66
TPSA73.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.85
LogP ≤ 514.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine?
The IUPAC name of 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine (CID 158578107) is 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine.
What is the SMILES notation for 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine?
The canonical SMILES for 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine is CC(C)C1=CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCOC1.CC(C)N1CCC2OCCC21.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1CO.COC1CCN(C(C)C)C1.
What is the InChIKey of 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine?
The InChIKey is HSXHOIUJPDYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H19N.C9H18.C9H16.C8H17NO2.C8H17NO.C8H17N.C7H14O/c1-7(2)10-5-3-9-8(10)4-6-11-9;1-9(2)10-7-5-3-4-6-8-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-3-4-11-6-8(9)5-10;1-7(2)9-5-4-8(6-9)10-3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7/h7-9H,3-6H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine?
3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine has a molecular weight of 1090.85 g/mol, XLogP of 14.66, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine is sourced from PubChem (CID 158578107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).