(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine

C8H16N2 — CID 155973742

IUPAC(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCN(C)[C@@H]1C[C@@H]2CN[C@H]1C2
InChIInChI=1S/C8H16N2/c1-10(2)8-4-6-3-7(8)9-5-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyOGSDGRXHLBUQGR-GJMOJQLCSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds1

About (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine

(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine (PubChem CID 155973742) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine.

Molecular Properties

Compound Name(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine
PubChem CID155973742
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCN(C)[C@@H]1C[C@@H]2CN[C@H]1C2
InChIInChI=1S/C8H16N2/c1-10(2)8-4-6-3-7(8)9-5-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyOGSDGRXHLBUQGR-GJMOJQLCSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine?
The IUPAC name of (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine (CID 155973742) is (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine.
What is the SMILES notation for (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine?
The canonical SMILES for (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine is CN(C)[C@@H]1C[C@@H]2CN[C@H]1C2.
What is the InChIKey of (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine?
The InChIKey is OGSDGRXHLBUQGR-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16N2/c1-10(2)8-4-6-3-7(8)9-5-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine?
(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine is sourced from PubChem (CID 155973742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).