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

C18H29N3 — CID 81199527

IUPAC1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine
SMILESCN1CCCC2CN(CC(C)(N)c3ccccc3)CCC21
InChIInChI=1S/C18H29N3/c1-18(19,16-8-4-3-5-9-16)14-21-12-10-17-15(13-21)7-6-11-20(17)2/h3-5,8-9,15,17H,6-7,10-14,19H2,1-2H3
InChIKeyZOKMFCIFJNJUJE-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.28
Rot. Bonds3

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

1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine (PubChem CID 81199527) 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)-2-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine
PubChem CID81199527
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)-2-phenylpropan-2-amine
SMILESCN1CCCC2CN(CC(C)(N)c3ccccc3)CCC21
InChIInChI=1S/C18H29N3/c1-18(19,16-8-4-3-5-9-16)14-21-12-10-17-15(13-21)7-6-11-20(17)2/h3-5,8-9,15,17H,6-7,10-14,19H2,1-2H3
InChIKeyZOKMFCIFJNJUJE-UHFFFAOYSA-N
XLogP2.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylpropan-2-amine
CID 62487218
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-phenylpropan-2-amine
CID 63151512
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
N-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]aniline
CID 81194517
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-phenylpropan-2-amine
CID 81200083
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzoic acid
CID 81199224
2-amino-2-cyclopropyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81199839
2-bromo-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]aniline
CID 81195520
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
ethyl 2-amino-2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199412
2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
CID 81199812

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)-2-phenylpropan-2-amine?
The IUPAC name of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine (CID 81199527) is 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-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)-2-phenylpropan-2-amine?
The canonical SMILES for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine is CN1CCCC2CN(CC(C)(N)c3ccccc3)CCC21.
What is the InChIKey of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine?
The InChIKey is ZOKMFCIFJNJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(19,16-8-4-3-5-9-16)14-21-12-10-17-15(13-21)7-6-11-20(17)2/h3-5,8-9,15,17H,6-7,10-14,19H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine?
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 2.28, 3 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)-2-phenylpropan-2-amine is sourced from PubChem (CID 81199527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).