(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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Related Compounds

1,2-ditert-butyl-2-azaspiro[4.4]nonane
CID 176747897
1-tert-butyl-2-methylaziridine
CID 15557486
1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol
CID 153289881
(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 137466687
[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine
CID 147072230
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
6-tert-butyl-2,7-dimethyl-2,6-diazaspiro[3.4]octane
CID 168820419
2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 161246587
1,3-ditert-butyl-2,2-dideuterioaziridine
CID 10920773
(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 172515568
7,8-ditert-butyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 172515504
1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine
CID 172515542

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).