6-azabicyclo[3.2.1]octan-3-amine

C7H14N2 — CID 59242824

IUPAC6-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CNC(C1)C2
InChIInChI=1S/C7H14N2/c8-6-1-5-2-7(3-6)9-4-5/h5-7,9H,1-4,8H2
InChIKeyXIQRLHSCQPTITP-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.09
Rot. Bonds

About 6-azabicyclo[3.2.1]octan-3-amine

6-azabicyclo[3.2.1]octan-3-amine (PubChem CID 59242824) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name6-azabicyclo[3.2.1]octan-3-amine
PubChem CID59242824
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name6-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CNC(C1)C2
InChIInChI=1S/C7H14N2/c8-6-1-5-2-7(3-6)9-4-5/h5-7,9H,1-4,8H2
InChIKeyXIQRLHSCQPTITP-UHFFFAOYSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 6-azabicyclo[3.2.1]octan-3-amine (CID 59242824) is 6-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 6-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 6-azabicyclo[3.2.1]octan-3-amine is NC1CC2CNC(C1)C2.
What is the InChIKey of 6-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XIQRLHSCQPTITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-6-1-5-2-7(3-6)9-4-5/h5-7,9H,1-4,8H2.
What are the key properties of 6-azabicyclo[3.2.1]octan-3-amine?
6-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 126.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 59242824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).