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;bis(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[3.2.2]nonane

C63H125N11 — CID 159632645

IUPAC3-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;bis(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[3.2.2]nonane
SMILESCC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCC2CCC1CC2
InChIInChI=1S/2C11H22N2.C11H21N.3C10H20N2/c1-9(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;1-9(2)12-8-7-10-3-5-11(12)6-4-10;1-8(2)12-6-9-4-5-10(7-12)11(9)3;2*1-8(2)12-9-4-5-10(12)7-11(3)6-9/h2*9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;3*8-10H,4-7H2,1-3H3
InChIKeyMPIBFZMTHHSUSU-UHFFFAOYSA-N
MW1036.77 g/mol
LogP9.31
Rot. Bonds6

About 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;bis(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[3.2.2]nonane

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;bis(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[3.2.2]nonane (PubChem CID 159632645) has the molecular formula C63H125N11 and a molecular weight of 1036.77 g/mol. Its IUPAC name is 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;bis(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[3.2.2]nonane.

Molecular Properties

Compound Name3-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;bis(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[3.2.2]nonane
PubChem CID159632645
Molecular FormulaC63H125N11
Molecular Weight1036.77 g/mol
Exact Mass1036.01
IUPAC Name3-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;bis(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[3.2.2]nonane
SMILESCC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCC2CCC1CC2
InChIInChI=1S/2C11H22N2.C11H21N.3C10H20N2/c1-9(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;1-9(2)12-8-7-10-3-5-11(12)6-4-10;1-8(2)12-6-9-4-5-10(7-12)11(9)3;2*1-8(2)12-9-4-5-10(12)7-11(3)6-9/h2*9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;3*8-10H,4-7H2,1-3H3
InChIKeyMPIBFZMTHHSUSU-UHFFFAOYSA-N
XLogP9.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001036.77
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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;bis(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[3.2.2]nonane 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

2-propan-2-yl-2-azabicyclo[3.3.2]decane
CID 21027698
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171564586
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid
CID 130892908
3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 178050456
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
CID 165053063
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
3-propan-2-yl-3-azabicyclo[4.3.1]decane
CID 121313326
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.2.1]octane
CID 167417926
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942

Frequently Asked Questions

What is the IUPAC name of 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;bis(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[3.2.2]nonane?
The IUPAC name of 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;bis(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[3.2.2]nonane (CID 159632645) is 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;bis(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[3.2.2]nonane.
What is the SMILES notation for 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;bis(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[3.2.2]nonane?
The canonical SMILES for 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;bis(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[3.2.2]nonane is CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCC2CCC1CC2.
What is the InChIKey of 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;bis(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[3.2.2]nonane?
The InChIKey is MPIBFZMTHHSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.C11H21N.3C10H20N2/c1-9(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;1-9(2)12-8-7-10-3-5-11(12)6-4-10;1-8(2)12-6-9-4-5-10(7-12)11(9)3;2*1-8(2)12-9-4-5-10(12)7-11(3)6-9/h2*9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;3*8-10H,4-7H2,1-3H3.
What are the key properties of 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;bis(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[3.2.2]nonane?
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;bis(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[3.2.2]nonane has a molecular weight of 1036.77 g/mol, XLogP of 9.31, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(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[3.2.2]nonane is sourced from PubChem (CID 159632645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).