3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine

C11H22N2 — CID 126556169

IUPAC3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCCNC12CC1CN(C(C)(C)C)C2
InChIInChI=1S/C11H22N2/c1-5-12-11-6-9(11)7-13(8-11)10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyGMQFJCAJXPCCMU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

About 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine

3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine (PubChem CID 126556169) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine
PubChem CID126556169
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCCNC12CC1CN(C(C)(C)C)C2
InChIInChI=1S/C11H22N2/c1-5-12-11-6-9(11)7-13(8-11)10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyGMQFJCAJXPCCMU-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine?
The IUPAC name of 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine (CID 126556169) is 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine is CCNC12CC1CN(C(C)(C)C)C2.
What is the InChIKey of 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine?
The InChIKey is GMQFJCAJXPCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-12-11-6-9(11)7-13(8-11)10(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine?
3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 126556169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).