N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine

C15H20N2 — CID 66671474

IUPACN-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine
SMILESC=CCN1CC2CC1(NCc1ccccc1)C2
InChIInChI=1S/C15H20N2/c1-2-8-17-12-14-9-15(17,10-14)16-11-13-6-4-3-5-7-13/h2-7,14,16H,1,8-12H2
InChIKeyXFLLHNRJIYLPNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.38
Rot. Bonds5

About N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine

N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine (PubChem CID 66671474) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine
PubChem CID66671474
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine
SMILESC=CCN1CC2CC1(NCc1ccccc1)C2
InChIInChI=1S/C15H20N2/c1-2-8-17-12-14-9-15(17,10-14)16-11-13-6-4-3-5-7-13/h2-7,14,16H,1,8-12H2
InChIKeyXFLLHNRJIYLPNG-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine?
The IUPAC name of N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine (CID 66671474) is N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine.
What is the SMILES notation for N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine?
The canonical SMILES for N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine is C=CCN1CC2CC1(NCc1ccccc1)C2.
What is the InChIKey of N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine?
The InChIKey is XFLLHNRJIYLPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-8-17-12-14-9-15(17,10-14)16-11-13-6-4-3-5-7-13/h2-7,14,16H,1,8-12H2.
What are the key properties of N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine?
N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine is sourced from PubChem (CID 66671474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).