2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine

C10H20N2 — CID 58306315

IUPAC2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine
SMILESCC(C)(C)N1CC2(N)CCC1C2
InChIInChI=1S/C10H20N2/c1-9(2,3)12-7-10(11)5-4-8(12)6-10/h8H,4-7,11H2,1-3H3
InChIKeyKVGLLNMEPFMTHQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.35
Rot. Bonds

About 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine

2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine (PubChem CID 58306315) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine
PubChem CID58306315
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine
SMILESCC(C)(C)N1CC2(N)CCC1C2
InChIInChI=1S/C10H20N2/c1-9(2,3)12-7-10(11)5-4-8(12)6-10/h8H,4-7,11H2,1-3H3
InChIKeyKVGLLNMEPFMTHQ-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine?
The IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine (CID 58306315) is 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine is CC(C)(C)N1CC2(N)CCC1C2.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine?
The InChIKey is KVGLLNMEPFMTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2,3)12-7-10(11)5-4-8(12)6-10/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine?
2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[2.2.1]heptan-4-amine is sourced from PubChem (CID 58306315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).