1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

C9H18N2 — CID 69228984

IUPAC1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1(C)CC(N)C2
InChIInChI=1S/C9H18N2/c1-9-4-3-8(11(9)2)5-7(10)6-9/h7-8H,3-6,10H2,1-2H3
InChIKeyAJCXOOFBQWSEED-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds

About 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 69228984) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID69228984
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1(C)CC(N)C2
InChIInChI=1S/C9H18N2/c1-9-4-3-8(11(9)2)5-7(10)6-9/h7-8H,3-6,10H2,1-2H3
InChIKeyAJCXOOFBQWSEED-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 69228984) is 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1(C)CC(N)C2.
What is the InChIKey of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AJCXOOFBQWSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-4-3-8(11(9)2)5-7(10)6-9/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 69228984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).