4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C104H197FN10O — CID 167589048

IUPAC4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)C12CCN(CC1)CC2.CC(C)C1C2CCC1CN(C)C2.CC(C)C1CC2CCC(C1)N2C.CC(C)C1CC2CCN(C2)C1.CC(C)C1CCC2CCC1N2C.CC(C)C1CCC2CCCN21.CC(C)C1CCC2CN(C)CC21.CC(C)C1CN2CCC1(F)CC2.CC(C)C1CN2CCC1CC2.CC(C)C1COC2CN(C)CC21
InChIInChI=1S/4C11H21N.C10H18FN.C10H19NO.4C10H19N/c1-8(2)10-6-4-9-5-7-11(10)12(9)3;1-8(2)9-6-10-4-5-11(7-9)12(10)3;1-8(2)10-5-4-9-6-12(3)7-11(9)10;1-8(2)11-9-4-5-10(11)7-12(3)6-9;1-8(2)9-7-12-5-3-10(9,11)4-6-12;1-7(2)9-6-12-10-5-11(3)4-8(9)10;1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)10-7-11-5-3-9(10)4-6-11;1-8(2)10-5-9-3-4-11(6-9)7-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h4*8-11H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;3*8-10H,3-7H2,1-2H3
InChIKeyIENVYLYQSKINQG-UHFFFAOYSA-N
MW1622.79 g/mol
LogP21.15
Rot. Bonds10

About 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 167589048) has the molecular formula C104H197FN10O and a molecular weight of 1622.79 g/mol. Its IUPAC name is 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID167589048
Molecular FormulaC104H197FN10O
Molecular Weight1622.79 g/mol
Exact Mass1621.57
IUPAC Name4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)C12CCN(CC1)CC2.CC(C)C1C2CCC1CN(C)C2.CC(C)C1CC2CCC(C1)N2C.CC(C)C1CC2CCN(C2)C1.CC(C)C1CCC2CCC1N2C.CC(C)C1CCC2CCCN21.CC(C)C1CCC2CN(C)CC21.CC(C)C1CN2CCC1(F)CC2.CC(C)C1CN2CCC1CC2.CC(C)C1COC2CN(C)CC21
InChIInChI=1S/4C11H21N.C10H18FN.C10H19NO.4C10H19N/c1-8(2)10-6-4-9-5-7-11(10)12(9)3;1-8(2)9-6-10-4-5-11(7-9)12(10)3;1-8(2)10-5-4-9-6-12(3)7-11(9)10;1-8(2)11-9-4-5-10(11)7-12(3)6-9;1-8(2)9-7-12-5-3-10(9,11)4-6-12;1-7(2)9-6-12-10-5-11(3)4-8(9)10;1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)10-7-11-5-3-9(10)4-6-11;1-8(2)10-5-9-3-4-11(6-9)7-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h4*8-11H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;3*8-10H,3-7H2,1-2H3
InChIKeyIENVYLYQSKINQG-UHFFFAOYSA-N
XLogP21.15
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001622.79
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine with MolForge

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Launch Full Analysis

Related Compounds

2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 167644291
3-Methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane;5-propan-2-yl-2,5-diazatricyclo[6.2.1.02,7]undecane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 157125942
2-Methyl-2-azabicyclo[2.2.1]heptane;2-methylpropane;3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 162058584

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 167589048) is 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC(C)C12CCN(CC1)CC2.CC(C)C1C2CCC1CN(C)C2.CC(C)C1CC2CCC(C1)N2C.CC(C)C1CC2CCN(C2)C1.CC(C)C1CCC2CCC1N2C.CC(C)C1CCC2CCCN21.CC(C)C1CCC2CN(C)CC21.CC(C)C1CN2CCC1(F)CC2.CC(C)C1CN2CCC1CC2.CC(C)C1COC2CN(C)CC21.
What is the InChIKey of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is IENVYLYQSKINQG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H21N.C10H18FN.C10H19NO.4C10H19N/c1-8(2)10-6-4-9-5-7-11(10)12(9)3;1-8(2)9-6-10-4-5-11(7-9)12(10)3;1-8(2)10-5-4-9-6-12(3)7-11(9)10;1-8(2)11-9-4-5-10(11)7-12(3)6-9;1-8(2)9-7-12-5-3-10(9,11)4-6-12;1-7(2)9-6-12-10-5-11(3)4-8(9)10;1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)10-7-11-5-3-9(10)4-6-11;1-8(2)10-5-9-3-4-11(6-9)7-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h4*8-11H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;3*8-10H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 1622.79 g/mol, XLogP of 21.15, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 167589048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).