1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane

C11H23N — CID 160816755

IUPAC1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane
SMILESC1CN2CCC1C2.CC(C)(C)C
InChIInChI=1S/C6H11N.C5H12/c1-3-7-4-2-6(1)5-7;1-5(2,3)4/h6H,1-5H2;1-4H3
InChIKeySEZSHGUWLFBGAC-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds

About 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane

1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane (PubChem CID 160816755) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane
PubChem CID160816755
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane
SMILESC1CN2CCC1C2.CC(C)(C)C
InChIInChI=1S/C6H11N.C5H12/c1-3-7-4-2-6(1)5-7;1-5(2,3)4/h6H,1-5H2;1-4H3
InChIKeySEZSHGUWLFBGAC-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane?
The IUPAC name of 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane (CID 160816755) is 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane is C1CN2CCC1C2.CC(C)(C)C.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane?
The InChIKey is SEZSHGUWLFBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H12/c1-3-7-4-2-6(1)5-7;1-5(2,3)4/h6H,1-5H2;1-4H3.
What are the key properties of 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane?
1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane is sourced from PubChem (CID 160816755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).