2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C14H22N2 — CID 171743484

IUPAC2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)c1ccc2c(n1)CC(C(C)C)NC2
InChIInChI=1S/C14H22N2/c1-9(2)12-6-5-11-8-15-13(10(3)4)7-14(11)16-12/h5-6,9-10,13,15H,7-8H2,1-4H3
InChIKeyRJDROKSHTUEVSK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.88
Rot. Bonds2

About 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine

2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 171743484) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID171743484
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)c1ccc2c(n1)CC(C(C)C)NC2
InChIInChI=1S/C14H22N2/c1-9(2)12-6-5-11-8-15-13(10(3)4)7-14(11)16-12/h5-6,9-10,13,15H,7-8H2,1-4H3
InChIKeyRJDROKSHTUEVSK-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 171743484) is 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)c1ccc2c(n1)CC(C(C)C)NC2.
What is the InChIKey of 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is RJDROKSHTUEVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9(2)12-6-5-11-8-15-13(10(3)4)7-14(11)16-12/h5-6,9-10,13,15H,7-8H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 218.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 171743484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).