(1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C15H20N2 — CID 146364499

IUPAC(1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESc1cc2c(cc1N1C[C@H]3C[C@@H]1CN3)CCCC2
InChIInChI=1S/C15H20N2/c1-2-4-12-7-14(6-5-11(12)3-1)17-10-13-8-15(17)9-16-13/h5-7,13,15-16H,1-4,8-10H2/t13-,15-/m1/s1
InChIKeyJFJFKWAOVHJKPP-UKRRQHHQSA-N
MW228.34 g/mol
LogP2.12
Rot. Bonds1

About (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 146364499) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID146364499
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESc1cc2c(cc1N1C[C@H]3C[C@@H]1CN3)CCCC2
InChIInChI=1S/C15H20N2/c1-2-4-12-7-14(6-5-11(12)3-1)17-10-13-8-15(17)9-16-13/h5-7,13,15-16H,1-4,8-10H2/t13-,15-/m1/s1
InChIKeyJFJFKWAOVHJKPP-UKRRQHHQSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 146364499) is (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane is c1cc2c(cc1N1C[C@H]3C[C@@H]1CN3)CCCC2.
What is the InChIKey of (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JFJFKWAOVHJKPP-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-4-12-7-14(6-5-11(12)3-1)17-10-13-8-15(17)9-16-13/h5-7,13,15-16H,1-4,8-10H2/t13-,15-/m1/s1.
What are the key properties of (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 228.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 146364499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).