2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine

C11H16N2 — CID 163258093

IUPAC2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC(C)C1CCc2ncccc2N1
InChIInChI=1S/C11H16N2/c1-8(2)9-5-6-10-11(13-9)4-3-7-12-10/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyKFXFDSLXNGSFKV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.46
Rot. Bonds1

About 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine

2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 163258093) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID163258093
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC(C)C1CCc2ncccc2N1
InChIInChI=1S/C11H16N2/c1-8(2)9-5-6-10-11(13-9)4-3-7-12-10/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyKFXFDSLXNGSFKV-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2,3,4-tetrahydro-1,5-naphthyridine
CID 6917495
5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine
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5,5,6-trimethyl-7,8-dihydro-6H-quinoline
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1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline
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(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
CID 158019694
ethane;3-[1-(4-methylphenyl)piperidin-4-yl]-4,5-dihydro-1H-pyrido[3,2-d][1,3]diazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 163258093) is 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine is CC(C)C1CCc2ncccc2N1.
What is the InChIKey of 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is KFXFDSLXNGSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-5-6-10-11(13-9)4-3-7-12-10/h3-4,7-9,13H,5-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 176.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 163258093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).