ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine

C11H18N2 — CID 143028453

IUPACethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
SMILESCC.CC1CCNc2cnccc21
InChIInChI=1S/C9H12N2.C2H6/c1-7-2-5-11-9-6-10-4-3-8(7)9;1-2/h3-4,6-7,11H,2,5H2,1H3;1-2H3
InChIKeyXWMUFSQCEQLYSJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.03
Rot. Bonds

About ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine

ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine (PubChem CID 143028453) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Nameethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
PubChem CID143028453
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
SMILESCC.CC1CCNc2cnccc21
InChIInChI=1S/C9H12N2.C2H6/c1-7-2-5-11-9-6-10-4-3-8(7)9;1-2/h3-4,6-7,11H,2,5H2,1H3;1-2H3
InChIKeyXWMUFSQCEQLYSJ-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
ethane;2-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 143028391
1,4-dimethyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 13143618
4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 55288006
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
3-methyl-4-piperidin-4-ylpyridine
CID 64985067
6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 142484636
5,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane
CID 143036463
1-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68632230
4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CID 18367059

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine?
The IUPAC name of ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine (CID 143028453) is ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine?
The canonical SMILES for ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine is CC.CC1CCNc2cnccc21.
What is the InChIKey of ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine?
The InChIKey is XWMUFSQCEQLYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-7-2-5-11-9-6-10-4-3-8(7)9;1-2/h3-4,6-7,11H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine?
ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine has a molecular weight of 178.28 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 143028453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).