1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane

C28H51FN6 — CID 160785168

IUPAC1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane
SMILESC.C1CN=C2NCCCC2C1.CC1CN=C2NCC(C)CC2C1.CC1CN=C2NCC(F)CC2C1
InChIInChI=1S/C10H18N2.C9H15FN2.C8H14N2.CH4/c1-7-3-9-4-8(2)6-12-10(9)11-5-7;1-6-2-7-3-8(10)5-12-9(7)11-4-6;1-3-7-4-2-6-10-8(7)9-5-1;/h7-9H,3-6H2,1-2H3,(H,11,12);6-8H,2-5H2,1H3,(H,11,12);7H,1-6H2,(H,9,10);1H4
InChIKeySBCKFRQSNAANNV-UHFFFAOYSA-N
MW490.76 g/mol
LogP4.86
Rot. Bonds

About 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane

1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane (PubChem CID 160785168) has the molecular formula C28H51FN6 and a molecular weight of 490.76 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane
PubChem CID160785168
Molecular FormulaC28H51FN6
Molecular Weight490.76 g/mol
Exact Mass490.42
IUPAC Name1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane
SMILESC.C1CN=C2NCCCC2C1.CC1CN=C2NCC(C)CC2C1.CC1CN=C2NCC(F)CC2C1
InChIInChI=1S/C10H18N2.C9H15FN2.C8H14N2.CH4/c1-7-3-9-4-8(2)6-12-10(9)11-5-7;1-6-2-7-3-8(10)5-12-9(7)11-4-6;1-3-7-4-2-6-10-8(7)9-5-1;/h7-9H,3-6H2,1-2H3,(H,11,12);6-8H,2-5H2,1H3,(H,11,12);7H,1-6H2,(H,9,10);1H4
InChIKeySBCKFRQSNAANNV-UHFFFAOYSA-N
XLogP4.86
TPSA73.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.76
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane with MolForge

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Related Compounds

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5-fluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
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CID 126671048
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CID 13281195

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane?
The IUPAC name of 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane (CID 160785168) is 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane?
The canonical SMILES for 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane is C.C1CN=C2NCCCC2C1.CC1CN=C2NCC(C)CC2C1.CC1CN=C2NCC(F)CC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane?
The InChIKey is SBCKFRQSNAANNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H15FN2.C8H14N2.CH4/c1-7-3-9-4-8(2)6-12-10(9)11-5-7;1-6-2-7-3-8(10)5-12-9(7)11-4-6;1-3-7-4-2-6-10-8(7)9-5-1;/h7-9H,3-6H2,1-2H3,(H,11,12);6-8H,2-5H2,1H3,(H,11,12);7H,1-6H2,(H,9,10);1H4.
What are the key properties of 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane?
1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane has a molecular weight of 490.76 g/mol, XLogP of 4.86, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3,6-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;3-fluoro-6-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine;methane is sourced from PubChem (CID 160785168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).