(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine

C13H26N2 — CID 126627824

IUPAC(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCC(C)(C)C1N(C(C)(C)C)C[C@@H]2C[C@]12N
InChIInChI=1S/C13H26N2/c1-11(2,3)10-13(14)7-9(13)8-15(10)12(4,5)6/h9-10H,7-8,14H2,1-6H3/t9-,10?,13+/m0/s1
InChIKeyDOJXQMPPHGWUID-BOURZNODSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds

About (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine

(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine (PubChem CID 126627824) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine
PubChem CID126627824
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCC(C)(C)C1N(C(C)(C)C)C[C@@H]2C[C@]12N
InChIInChI=1S/C13H26N2/c1-11(2,3)10-13(14)7-9(13)8-15(10)12(4,5)6/h9-10H,7-8,14H2,1-6H3/t9-,10?,13+/m0/s1
InChIKeyDOJXQMPPHGWUID-BOURZNODSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine?
The IUPAC name of (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine (CID 126627824) is (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine is CC(C)(C)C1N(C(C)(C)C)C[C@@H]2C[C@]12N.
What is the InChIKey of (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine?
The InChIKey is DOJXQMPPHGWUID-BOURZNODSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2,3)10-13(14)7-9(13)8-15(10)12(4,5)6/h9-10H,7-8,14H2,1-6H3/t9-,10?,13+/m0/s1.
What are the key properties of (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine?
(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 126627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).