(3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine

C11H22N2 — CID 153298713

IUPAC(3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESC[C@@H]1C2CC(N)C(C2)N1C(C)(C)C
InChIInChI=1S/C11H22N2/c1-7-8-5-9(12)10(6-8)13(7)11(2,3)4/h7-10H,5-6,12H2,1-4H3/t7-,8?,9?,10?/m1/s1
InChIKeyLFCKKBKBIZXWJL-QVNBGCGHSA-N
MW182.31 g/mol
LogP1.59
Rot. Bonds

About (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine

(3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine (PubChem CID 153298713) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine
PubChem CID153298713
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESC[C@@H]1C2CC(N)C(C2)N1C(C)(C)C
InChIInChI=1S/C11H22N2/c1-7-8-5-9(12)10(6-8)13(7)11(2,3)4/h7-10H,5-6,12H2,1-4H3/t7-,8?,9?,10?/m1/s1
InChIKeyLFCKKBKBIZXWJL-QVNBGCGHSA-N
XLogP1.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine?
The IUPAC name of (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine (CID 153298713) is (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine.
What is the SMILES notation for (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine?
The canonical SMILES for (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine is C[C@@H]1C2CC(N)C(C2)N1C(C)(C)C.
What is the InChIKey of (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine?
The InChIKey is LFCKKBKBIZXWJL-QVNBGCGHSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-8-5-9(12)10(6-8)13(7)11(2,3)4/h7-10H,5-6,12H2,1-4H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine?
(3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3-methyl-2-azabicyclo[2.2.1]heptan-6-amine is sourced from PubChem (CID 153298713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).