3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane

C17H19N — CID 130377875

IUPAC3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane
SMILESCc1ccc(C2CC3CC(C2)N3)c2ccccc12
InChIInChI=1S/C17H19N/c1-11-6-7-16(17-5-3-2-4-15(11)17)12-8-13-10-14(9-12)18-13/h2-7,12-14,18H,8-10H2,1H3
InChIKeyNKFFCAZOXQZRGJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.76
Rot. Bonds1

About 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane

3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane (PubChem CID 130377875) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane
PubChem CID130377875
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane
SMILESCc1ccc(C2CC3CC(C2)N3)c2ccccc12
InChIInChI=1S/C17H19N/c1-11-6-7-16(17-5-3-2-4-15(11)17)12-8-13-10-14(9-12)18-13/h2-7,12-14,18H,8-10H2,1H3
InChIKeyNKFFCAZOXQZRGJ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane (CID 130377875) is 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane is Cc1ccc(C2CC3CC(C2)N3)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane?
The InChIKey is NKFFCAZOXQZRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-6-7-16(17-5-3-2-4-15(11)17)12-8-13-10-14(9-12)18-13/h2-7,12-14,18H,8-10H2,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane?
3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane has a molecular weight of 237.35 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 130377875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).