3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine

C10H20N2 — CID 47003636

IUPAC3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC(C)(C)N1CC2CC(C1)C2N
InChIInChI=1S/C10H20N2/c1-10(2,3)12-5-7-4-8(6-12)9(7)11/h7-9H,4-6,11H2,1-3H3
InChIKeyKOBBIZUHSYCCIG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.06
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine

3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 47003636) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID47003636
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC(C)(C)N1CC2CC(C1)C2N
InChIInChI=1S/C10H20N2/c1-10(2,3)12-5-7-4-8(6-12)9(7)11/h7-9H,4-6,11H2,1-3H3
InChIKeyKOBBIZUHSYCCIG-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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[3.1.1]heptan-6-amine?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 47003636) is 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine is CC(C)(C)N1CC2CC(C1)C2N.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is KOBBIZUHSYCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2,3)12-5-7-4-8(6-12)9(7)11/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine?
3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 168.28 g/mol, XLogP of 1.06, 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[3.1.1]heptan-6-amine is sourced from PubChem (CID 47003636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).