3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine

C11H14N2 — CID 105435865

IUPAC3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESNC12CC1CN(c1ccccc1)C2
InChIInChI=1S/C11H14N2/c12-11-6-9(11)7-13(8-11)10-4-2-1-3-5-10/h1-5,9H,6-8,12H2
InChIKeyDWUKQMCNAUAZLQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.22
Rot. Bonds1

About 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine

3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine (PubChem CID 105435865) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine
PubChem CID105435865
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESNC12CC1CN(c1ccccc1)C2
InChIInChI=1S/C11H14N2/c12-11-6-9(11)7-13(8-11)10-4-2-1-3-5-10/h1-5,9H,6-8,12H2
InChIKeyDWUKQMCNAUAZLQ-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine?
The IUPAC name of 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine (CID 105435865) is 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine is NC12CC1CN(c1ccccc1)C2.
What is the InChIKey of 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine?
The InChIKey is DWUKQMCNAUAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-11-6-9(11)7-13(8-11)10-4-2-1-3-5-10/h1-5,9H,6-8,12H2.
What are the key properties of 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine?
3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-azabicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 105435865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).