3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine

C12H24N2 — CID 43810988

IUPAC3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)(C)N1CC2CCCC(C1)C2N
InChIInChI=1S/C12H24N2/c1-12(2,3)14-7-9-5-4-6-10(8-14)11(9)13/h9-11H,4-8,13H2,1-3H3
InChIKeyCLEWQPVDDHEQHX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.84
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine

3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 43810988) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID43810988
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)(C)N1CC2CCCC(C1)C2N
InChIInChI=1S/C12H24N2/c1-12(2,3)14-7-9-5-4-6-10(8-14)11(9)13/h9-11H,4-8,13H2,1-3H3
InChIKeyCLEWQPVDDHEQHX-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine (CID 43810988) is 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)(C)N1CC2CCCC(C1)C2N.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is CLEWQPVDDHEQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)14-7-9-5-4-6-10(8-14)11(9)13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine?
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 196.34 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 43810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).