1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine

C18H29N3 — CID 81200083

IUPAC1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine
SMILESCN1CCCC2CN(CC(N)Cc3ccccc3)CCC21
InChIInChI=1S/C18H29N3/c1-20-10-5-8-16-13-21(11-9-18(16)20)14-17(19)12-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14,19H2,1H3
InChIKeyOWYHQPJUFYCZKG-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.97
Rot. Bonds4

About 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine

1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine (PubChem CID 81200083) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine
PubChem CID81200083
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine
SMILESCN1CCCC2CN(CC(N)Cc3ccccc3)CCC21
InChIInChI=1S/C18H29N3/c1-20-10-5-8-16-13-21(11-9-18(16)20)14-17(19)12-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14,19H2,1H3
InChIKeyOWYHQPJUFYCZKG-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine with MolForge

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropan-2-amine
CID 43620478
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine
CID 81199527
1-(3-aminophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanol
CID 81199297
N-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]aniline
CID 81194517
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81198905
1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 62205972
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzoic acid
CID 81199224
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-amine
CID 81199860
methyl 2-bromo-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199531
2-bromo-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]aniline
CID 81195520

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine (CID 81200083) is 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine is CN1CCCC2CN(CC(N)Cc3ccccc3)CCC21.
What is the InChIKey of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine?
The InChIKey is OWYHQPJUFYCZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-10-5-8-16-13-21(11-9-18(16)20)14-17(19)12-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14,19H2,1H3.
What are the key properties of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine?
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 81200083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).