(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C12H24N2 — CID 82241142

IUPAC(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCC(C)(C)N1C2CCC1CC(CN)C2
InChIInChI=1S/C12H24N2/c1-12(2,3)14-10-4-5-11(14)7-9(6-10)8-13/h9-11H,4-8,13H2,1-3H3
InChIKeyVZDXXBXWJJXHIV-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds1

About (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 82241142) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID82241142
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCC(C)(C)N1C2CCC1CC(CN)C2
InChIInChI=1S/C12H24N2/c1-12(2,3)14-10-4-5-11(14)7-9(6-10)8-13/h9-11H,4-8,13H2,1-3H3
InChIKeyVZDXXBXWJJXHIV-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 82241142) is (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CC(C)(C)N1C2CCC1CC(CN)C2.
What is the InChIKey of (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is VZDXXBXWJJXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)14-10-4-5-11(14)7-9(6-10)8-13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 82241142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).