3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene

C17H27N — CID 167425064

IUPAC3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
SMILESCC(C)C1C2C3C=CC(C4CC34)C2CN1C(C)C
InChIInChI=1S/C17H27N/c1-9(2)17-16-12-6-5-11(13-7-14(12)13)15(16)8-18(17)10(3)4/h5-6,9-17H,7-8H2,1-4H3
InChIKeyGINMMQOMOLBUDS-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.42
Rot. Bonds2

About 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene

3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene (PubChem CID 167425064) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
PubChem CID167425064
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
SMILESCC(C)C1C2C3C=CC(C4CC34)C2CN1C(C)C
InChIInChI=1S/C17H27N/c1-9(2)17-16-12-6-5-11(13-7-14(12)13)15(16)8-18(17)10(3)4/h5-6,9-17H,7-8H2,1-4H3
InChIKeyGINMMQOMOLBUDS-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene 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

9-deuterio-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425075
4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
CID 167425034
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
CID 166831910
(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
CID 170300237
2-fluoro-1-propan-2-ylaziridine
CID 166046401
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 174169269
(1S,2S,6R,7R,8R,10S)-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3-carboxylic acid
CID 166466600
(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 68574217
1-[2,6-dimethyl-3,4-di(propan-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 176827753
4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
CID 90680743

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The IUPAC name of 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene (CID 167425064) is 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene.
What is the SMILES notation for 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The canonical SMILES for 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene is CC(C)C1C2C3C=CC(C4CC34)C2CN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The InChIKey is GINMMQOMOLBUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-9(2)17-16-12-6-5-11(13-7-14(12)13)15(16)8-18(17)10(3)4/h5-6,9-17H,7-8H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene has a molecular weight of 245.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene is sourced from PubChem (CID 167425064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).