2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine

C9H14N2 — CID 90857545

IUPAC2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
SMILESCN1CCC2CC=NC=C2C1
InChIInChI=1S/C9H14N2/c1-11-5-3-8-2-4-10-6-9(8)7-11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyUVLZXPIPSPRPSL-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.30
Rot. Bonds

About 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine

2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine (PubChem CID 90857545) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
PubChem CID90857545
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
SMILESCN1CCC2CC=NC=C2C1
InChIInChI=1S/C9H14N2/c1-11-5-3-8-2-4-10-6-9(8)7-11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyUVLZXPIPSPRPSL-UHFFFAOYSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine
CID 59176544
4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
CID 70251029
2-methyl-3,4,4a,8a-tetrahydro-1H-2,7-naphthyridine
CID 89554216
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
1-(3,4-Dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane
CID 145343687
5-Tert-butyl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine
CID 170053202
1-(3,4-Dihydropyridin-5-ylmethyl)-4-methylpiperazine
CID 145343688
5-Propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine
CID 163990759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
The IUPAC name of 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine (CID 90857545) is 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine is CN1CCC2CC=NC=C2C1.
What is the InChIKey of 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
The InChIKey is UVLZXPIPSPRPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-5-3-8-2-4-10-6-9(8)7-11/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine has a molecular weight of 150.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine is sourced from PubChem (CID 90857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).