5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine

C13H24N2 — CID 79860131

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N2CC3CCC2C3)C1N
InChIInChI=1S/C13H24N2/c1-13(2)6-5-11(12(13)14)15-8-9-3-4-10(15)7-9/h9-12H,3-8,14H2,1-2H3
InChIKeyNEKFDCPWSYCVMX-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.99
Rot. Bonds1

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine

5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860131) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine
PubChem CID79860131
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N2CC3CCC2C3)C1N
InChIInChI=1S/C13H24N2/c1-13(2)6-5-11(12(13)14)15-8-9-3-4-10(15)7-9/h9-12H,3-8,14H2,1-2H3
InChIKeyNEKFDCPWSYCVMX-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine (CID 79860131) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(N2CC3CCC2C3)C1N.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is NEKFDCPWSYCVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2)6-5-11(12(13)14)15-8-9-3-4-10(15)7-9/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine?
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 208.35 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 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).