4,4-dimethyl-2-azabicyclo[3.1.1]heptane

C8H15N — CID 143639105

IUPAC4,4-dimethyl-2-azabicyclo[3.1.1]heptane
SMILESCC1(C)CNC2CC1C2
InChIInChI=1S/C8H15N/c1-8(2)5-9-7-3-6(8)4-7/h6-7,9H,3-5H2,1-2H3
InChIKeyNFVJPWBOBYDCRP-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.39
Rot. Bonds

About 4,4-dimethyl-2-azabicyclo[3.1.1]heptane

4,4-dimethyl-2-azabicyclo[3.1.1]heptane (PubChem CID 143639105) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name4,4-dimethyl-2-azabicyclo[3.1.1]heptane
PubChem CID143639105
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name4,4-dimethyl-2-azabicyclo[3.1.1]heptane
SMILESCC1(C)CNC2CC1C2
InChIInChI=1S/C8H15N/c1-8(2)5-9-7-3-6(8)4-7/h6-7,9H,3-5H2,1-2H3
InChIKeyNFVJPWBOBYDCRP-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-azabicyclo[3.1.1]heptane?
The IUPAC name of 4,4-dimethyl-2-azabicyclo[3.1.1]heptane (CID 143639105) is 4,4-dimethyl-2-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 4,4-dimethyl-2-azabicyclo[3.1.1]heptane?
The canonical SMILES for 4,4-dimethyl-2-azabicyclo[3.1.1]heptane is CC1(C)CNC2CC1C2.
What is the InChIKey of 4,4-dimethyl-2-azabicyclo[3.1.1]heptane?
The InChIKey is NFVJPWBOBYDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)5-9-7-3-6(8)4-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-azabicyclo[3.1.1]heptane?
4,4-dimethyl-2-azabicyclo[3.1.1]heptane has a molecular weight of 125.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 143639105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).