3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane

C67H129N9 — CID 158634623

IUPAC3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
SMILESC.CC(C)(C)N1CC2CC2C1.CC(C)N1C2CC1C2.CC(C)N1C2CCC1C2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1C2.CC(C)N1CCC2CC1C2.CC(C)N1CCC2CC21.CC(C)N1CNC2CC1C2
InChIInChI=1S/3C9H17N.C8H16N2.3C8H15N.C7H13N.CH4/c1-9(2,3)10-5-7-4-8(7)6-10;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(10)6-8;1-6(2)10-5-9-7-3-8(10)4-7;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-4-3-7-5-8(7)9;1-6(2)9-7-3-4-8(9)5-7;1-5(2)8-6-3-7(8)4-6;/h7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;3*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;1H4
InChIKeyHZPRNRLSLVZLMX-UHFFFAOYSA-N
MW1060.83 g/mol
LogP12.63
Rot. Bonds7

About 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane

3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane (PubChem CID 158634623) has the molecular formula C67H129N9 and a molecular weight of 1060.83 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
PubChem CID158634623
Molecular FormulaC67H129N9
Molecular Weight1060.83 g/mol
Exact Mass1060.04
IUPAC Name3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
SMILESC.CC(C)(C)N1CC2CC2C1.CC(C)N1C2CC1C2.CC(C)N1C2CCC1C2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1C2.CC(C)N1CCC2CC1C2.CC(C)N1CCC2CC21.CC(C)N1CNC2CC1C2
InChIInChI=1S/3C9H17N.C8H16N2.3C8H15N.C7H13N.CH4/c1-9(2,3)10-5-7-4-8(7)6-10;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(10)6-8;1-6(2)10-5-9-7-3-8(10)4-7;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-4-3-7-5-8(7)9;1-6(2)9-7-3-4-8(9)5-7;1-5(2)8-6-3-7(8)4-6;/h7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;3*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;1H4
InChIKeyHZPRNRLSLVZLMX-UHFFFAOYSA-N
XLogP12.63
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.83
LogP ≤ 512.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]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

2-Tert-butyl-2-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane;3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-ethyl-2-azabicyclo[3.1.0]hexane;3-tert-butyl-2-ethyl-3-azabicyclo[3.1.0]hexane;7-tert-butyl-8-ethyl-7-azaspiro[3.5]nonane;6-tert-butyl-7-ethyl-6-azaspiro[2.5]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 157401854
3-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane;3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-2-ethyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 157561814
1-Azabicyclo[2.2.1]heptane;bis(5-azabicyclo[2.1.1]hexane);1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;1,3-diazabicyclo[2.2.1]heptane;methane
CID 159548922
2-Propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
CID 160611996

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane (CID 158634623) is 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane is C.CC(C)(C)N1CC2CC2C1.CC(C)N1C2CC1C2.CC(C)N1C2CCC1C2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1C2.CC(C)N1CCC2CC1C2.CC(C)N1CCC2CC21.CC(C)N1CNC2CC1C2.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
The InChIKey is HZPRNRLSLVZLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H17N.C8H16N2.3C8H15N.C7H13N.CH4/c1-9(2,3)10-5-7-4-8(7)6-10;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(10)6-8;1-6(2)10-5-9-7-3-8(10)4-7;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-4-3-7-5-8(7)9;1-6(2)9-7-3-4-8(9)5-7;1-5(2)8-6-3-7(8)4-6;/h7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;3*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;1H4.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane has a molecular weight of 1060.83 g/mol, XLogP of 12.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 158634623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).