2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine

C15H26N2 — CID 59802729

IUPAC2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine
SMILESCC(C)N1C=CC2=C(C1)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H26N2/c1-12(2)16-8-6-13-7-9-17(15(3,4)5)11-14(13)10-16/h6,8,12H,7,9-11H2,1-5H3
InChIKeyVRKUYMADGKSJEM-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.02
Rot. Bonds1

About 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine

2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine (PubChem CID 59802729) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine
PubChem CID59802729
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine
SMILESCC(C)N1C=CC2=C(C1)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H26N2/c1-12(2)16-8-6-13-7-9-17(15(3,4)5)11-14(13)10-16/h6,8,12H,7,9-11H2,1-5H3
InChIKeyVRKUYMADGKSJEM-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine?
The IUPAC name of 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine (CID 59802729) is 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine is CC(C)N1C=CC2=C(C1)CN(C(C)(C)C)CC2.
What is the InChIKey of 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine?
The InChIKey is VRKUYMADGKSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)16-8-6-13-7-9-17(15(3,4)5)11-14(13)10-16/h6,8,12H,7,9-11H2,1-5H3.
What are the key properties of 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine?
2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine has a molecular weight of 234.39 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-propan-2-yl-1,3,4,8-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 59802729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).