2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane

C15H29N — CID 170668423

IUPAC2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)N1CC2(C(C)(C)C)CCC1(C)C2
InChIInChI=1S/C15H29N/c1-12(2,3)15-9-8-14(7,10-15)16(11-15)13(4,5)6/h8-11H2,1-7H3
InChIKeyHFVGPGSNSMJICV-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds

About 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane

2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 170668423) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID170668423
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)N1CC2(C(C)(C)C)CCC1(C)C2
InChIInChI=1S/C15H29N/c1-12(2,3)15-9-8-14(7,10-15)16(11-15)13(4,5)6/h8-11H2,1-7H3
InChIKeyHFVGPGSNSMJICV-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane (CID 170668423) is 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane is CC(C)(C)N1CC2(C(C)(C)C)CCC1(C)C2.
What is the InChIKey of 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is HFVGPGSNSMJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(2,3)15-9-8-14(7,10-15)16(11-15)13(4,5)6/h8-11H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane?
2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 223.40 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170668423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).