N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine

C8H16N2 — CID 21043919

IUPACN,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCNC1C2CC1CN(C)C2
InChIInChI=1S/C8H16N2/c1-9-8-6-3-7(8)5-10(2)4-6/h6-9H,3-5H2,1-2H3
InChIKeyHJDSLIKWPNSXPL-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.16
Rot. Bonds1

About N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine

N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 21043919) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID21043919
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCNC1C2CC1CN(C)C2
InChIInChI=1S/C8H16N2/c1-9-8-6-3-7(8)5-10(2)4-6/h6-9H,3-5H2,1-2H3
InChIKeyHJDSLIKWPNSXPL-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 21043919) is N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine is CNC1C2CC1CN(C)C2.
What is the InChIKey of N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is HJDSLIKWPNSXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-8-6-3-7(8)5-10(2)4-6/h6-9H,3-5H2,1-2H3.
What are the key properties of N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine?
N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 21043919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).