ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane

C12H23N — CID 144979651

IUPACethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC=C(C)C1C2CN(CC)CC21.CC
InChIInChI=1S/C10H17N.C2H6/c1-4-11-5-8-9(6-11)10(8)7(2)3;1-2/h8-10H,2,4-6H2,1,3H3;1-2H3
InChIKeyOOPADFNUUTXSRE-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.79
Rot. Bonds2

About ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane

ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 144979651) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID144979651
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC=C(C)C1C2CN(CC)CC21.CC
InChIInChI=1S/C10H17N.C2H6/c1-4-11-5-8-9(6-11)10(8)7(2)3;1-2/h8-10H,2,4-6H2,1,3H3;1-2H3
InChIKeyOOPADFNUUTXSRE-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane (CID 144979651) is ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane is C=C(C)C1C2CN(CC)CC21.CC.
What is the InChIKey of ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is OOPADFNUUTXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-4-11-5-8-9(6-11)10(8)7(2)3;1-2/h8-10H,2,4-6H2,1,3H3;1-2H3.
What are the key properties of ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 181.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 144979651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).