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

C110H215N19O — CID 157125942

IUPAC3-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
SMILESCC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1C2.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCN2C3CCC(C3)C2C1.CC(C)N1CCN2CCC1C2.CC(C)N1CCN2CCC1CC2.CC1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H22N2.2C11H22N2.C11H21N.3C10H20N2.2C9H18N2.C9H17N.C8H15NO/c1-9(2)13-5-6-14-11-4-3-10(7-11)12(14)8-13;1-9(2)13-7-6-10-4-5-11(8-13)12(10)3;1-9(2)13-10-4-5-11(13)8-12(3)7-6-10;1-8(2)12-10-4-5-11(12)7-9(3)6-10;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)11-6-5-10-4-3-9(11)7-10;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-4-8-3-7(9)5-10-8/h9-12H,3-8H2,1-2H3;2*9-11H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyAIMTZKFJRAZYIR-UHFFFAOYSA-N
MW1820.06 g/mol
LogP15.18
Rot. Bonds11

About 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

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 (PubChem CID 157125942) has the molecular formula C110H215N19O and a molecular weight of 1820.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157125942
Molecular FormulaC110H215N19O
Molecular Weight1820.06 g/mol
Exact Mass1818.74
IUPAC Name3-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
SMILESCC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1C2.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCN2C3CCC(C3)C2C1.CC(C)N1CCN2CCC1C2.CC(C)N1CCN2CCC1CC2.CC1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H22N2.2C11H22N2.C11H21N.3C10H20N2.2C9H18N2.C9H17N.C8H15NO/c1-9(2)13-5-6-14-11-4-3-10(7-11)12(14)8-13;1-9(2)13-7-6-10-4-5-11(8-13)12(10)3;1-9(2)13-10-4-5-11(13)8-12(3)7-6-10;1-8(2)12-10-4-5-11(12)7-9(3)6-10;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)11-6-5-10-4-3-9(11)7-10;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-4-8-3-7(9)5-10-8/h9-12H,3-8H2,1-2H3;2*9-11H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyAIMTZKFJRAZYIR-UHFFFAOYSA-N
XLogP15.18
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001820.06
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1C2.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCN2C3CCC(C3)C2C1.CC(C)N1CCN2CCC1C2.CC(C)N1CCN2CCC1CC2.CC1CC2CCC(C1)N2C(C)C.
What is the InChIKey of 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?
The InChIKey is AIMTZKFJRAZYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.2C11H22N2.C11H21N.3C10H20N2.2C9H18N2.C9H17N.C8H15NO/c1-9(2)13-5-6-14-11-4-3-10(7-11)12(14)8-13;1-9(2)13-7-6-10-4-5-11(8-13)12(10)3;1-9(2)13-10-4-5-11(13)8-12(3)7-6-10;1-8(2)12-10-4-5-11(12)7-9(3)6-10;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)11-6-5-10-4-3-9(11)7-10;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-4-8-3-7(9)5-10-8/h9-12H,3-8H2,1-2H3;2*9-11H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1820.06 g/mol, XLogP of 15.18, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157125942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).