1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane

C18H21N — CID 68943861

IUPAC1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane
SMILESCCCN1CC2CC2(c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H21N/c1-2-9-19-12-17-11-18(17,13-19)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,17H,2,9,11-13H2,1H3
InChIKeyIQFBYDQVLGXLCR-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.82
Rot. Bonds3

About 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane

1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane (PubChem CID 68943861) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane
PubChem CID68943861
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane
SMILESCCCN1CC2CC2(c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H21N/c1-2-9-19-12-17-11-18(17,13-19)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,17H,2,9,11-13H2,1H3
InChIKeyIQFBYDQVLGXLCR-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane (CID 68943861) is 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane is CCCN1CC2CC2(c2ccc3ccccc3c2)C1.
What is the InChIKey of 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is IQFBYDQVLGXLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-9-19-12-17-11-18(17,13-19)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,17H,2,9,11-13H2,1H3.
What are the key properties of 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane?
1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 251.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 68943861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).