[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine

C13H26N2 — CID 135182755

IUPAC[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
SMILESCC(C)C1C[C@]2(CN)C[C@@H]2N1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-9(2)10-6-13(8-14)7-11(13)15(10)12(3,4)5/h9-11H,6-8,14H2,1-5H3/t10?,11-,13+/m0/s1
InChIKeyHBSKRZFWLGUGHO-QMDRTORHSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds2

About [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine

[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine (PubChem CID 135182755) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
PubChem CID135182755
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
SMILESCC(C)C1C[C@]2(CN)C[C@@H]2N1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-9(2)10-6-13(8-14)7-11(13)15(10)12(3,4)5/h9-11H,6-8,14H2,1-5H3/t10?,11-,13+/m0/s1
InChIKeyHBSKRZFWLGUGHO-QMDRTORHSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
The IUPAC name of [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine (CID 135182755) is [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine.
What is the SMILES notation for [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
The canonical SMILES for [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine is CC(C)C1C[C@]2(CN)C[C@@H]2N1C(C)(C)C.
What is the InChIKey of [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
The InChIKey is HBSKRZFWLGUGHO-QMDRTORHSA-N. The full InChI is InChI=1S/C13H26N2/c1-9(2)10-6-13(8-14)7-11(13)15(10)12(3,4)5/h9-11H,6-8,14H2,1-5H3/t10?,11-,13+/m0/s1.
What are the key properties of [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine is sourced from PubChem (CID 135182755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).