[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine

C16H27N3O — CID 81205816

IUPAC[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(CN2CCC3C(CCCN3C)C2)oc1CN
InChIInChI=1S/C16H27N3O/c1-12-8-14(20-16(12)9-17)11-19-7-5-15-13(10-19)4-3-6-18(15)2/h8,13,15H,3-7,9-11,17H2,1-2H3
InChIKeyGOIPYCDHQUBIBV-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.96
Rot. Bonds3

About [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine

[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine (PubChem CID 81205816) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
PubChem CID81205816
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(CN2CCC3C(CCCN3C)C2)oc1CN
InChIInChI=1S/C16H27N3O/c1-12-8-14(20-16(12)9-17)11-19-7-5-15-13(10-19)4-3-6-18(15)2/h8,13,15H,3-7,9-11,17H2,1-2H3
InChIKeyGOIPYCDHQUBIBV-UHFFFAOYSA-N
XLogP1.96
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine with MolForge

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Related Compounds

[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170378
[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 62411388
[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81199439
4-bromo-2-methyl-6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenol
CID 115904024
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 55217384
[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 65286758
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
2-methoxy-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]aniline
CID 81199147
3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzonitrile
CID 114481273
6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199970

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine (CID 81205816) is [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine is Cc1cc(CN2CCC3C(CCCN3C)C2)oc1CN.
What is the InChIKey of [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine?
The InChIKey is GOIPYCDHQUBIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-8-14(20-16(12)9-17)11-19-7-5-15-13(10-19)4-3-6-18(15)2/h8,13,15H,3-7,9-11,17H2,1-2H3.
What are the key properties of [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine?
[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 81205816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).