2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C16H27N — CID 174169269

IUPAC2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3C=CC(C3)C2(C)CN1C(C)C
InChIInChI=1S/C16H27N/c1-10(2)15-14-12-6-7-13(8-12)16(14,5)9-17(15)11(3)4/h6-7,10-15H,8-9H2,1-5H3
InChIKeyCSPCRLLIUKHTHH-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 174169269) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID174169269
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3C=CC(C3)C2(C)CN1C(C)C
InChIInChI=1S/C16H27N/c1-10(2)15-14-12-6-7-13(8-12)16(14,5)9-17(15)11(3)4/h6-7,10-15H,8-9H2,1-5H3
InChIKeyCSPCRLLIUKHTHH-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 174169269) is 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1C2C3C=CC(C3)C2(C)CN1C(C)C.
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is CSPCRLLIUKHTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-10(2)15-14-12-6-7-13(8-12)16(14,5)9-17(15)11(3)4/h6-7,10-15H,8-9H2,1-5H3.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 233.40 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 174169269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).