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

C14H28N2 — CID 126627828

IUPAC[(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
SMILESCC(C)(C)C1C[C@]2(CN)C[C@@H]2N1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(2,3)10-7-14(9-15)8-11(14)16(10)13(4,5)6/h10-11H,7-9,15H2,1-6H3/t10?,11-,14+/m0/s1
InChIKeyOGBDEDKYLJDVSN-SAQKRVJRSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds1

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

[(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine (PubChem CID 126627828) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
PubChem CID126627828
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
SMILESCC(C)(C)C1C[C@]2(CN)C[C@@H]2N1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(2,3)10-7-14(9-15)8-11(14)16(10)13(4,5)6/h10-11H,7-9,15H2,1-6H3/t10?,11-,14+/m0/s1
InChIKeyOGBDEDKYLJDVSN-SAQKRVJRSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
The IUPAC name of [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine (CID 126627828) is [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine.
What is the SMILES notation for [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
The canonical SMILES for [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine is CC(C)(C)C1C[C@]2(CN)C[C@@H]2N1C(C)(C)C.
What is the InChIKey of [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
The InChIKey is OGBDEDKYLJDVSN-SAQKRVJRSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2,3)10-7-14(9-15)8-11(14)16(10)13(4,5)6/h10-11H,7-9,15H2,1-6H3/t10?,11-,14+/m0/s1.
What are the key properties of [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?
[(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine is sourced from PubChem (CID 126627828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).