2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine

C11H22N2 — CID 155370671

IUPAC2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCCC(C)(C)N1CC2CC(N)C1C2
InChIInChI=1S/C11H22N2/c1-4-11(2,3)13-7-8-5-9(12)10(13)6-8/h8-10H,4-7,12H2,1-3H3
InChIKeyFGYYJWFYZZFNTI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine

2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine (PubChem CID 155370671) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine
PubChem CID155370671
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCCC(C)(C)N1CC2CC(N)C1C2
InChIInChI=1S/C11H22N2/c1-4-11(2,3)13-7-8-5-9(12)10(13)6-8/h8-10H,4-7,12H2,1-3H3
InChIKeyFGYYJWFYZZFNTI-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine?
The IUPAC name of 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine (CID 155370671) is 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine is CCC(C)(C)N1CC2CC(N)C1C2.
What is the InChIKey of 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine?
The InChIKey is FGYYJWFYZZFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-11(2,3)13-7-8-5-9(12)10(13)6-8/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine?
2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine is sourced from PubChem (CID 155370671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).