6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine

C18H23N3 — CID 90697203

IUPAC6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine
SMILESCC1C=NC2=C(C1)CC(CC(C)c1ccccc1)C(N)=N2
InChIInChI=1S/C18H23N3/c1-12-8-16-10-15(17(19)21-18(16)20-11-12)9-13(2)14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3,(H2,19,21)
InChIKeyNANZZYFEMJBUBE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.88
Rot. Bonds3

About 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine

6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine (PubChem CID 90697203) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine
PubChem CID90697203
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine
SMILESCC1C=NC2=C(C1)CC(CC(C)c1ccccc1)C(N)=N2
InChIInChI=1S/C18H23N3/c1-12-8-16-10-15(17(19)21-18(16)20-11-12)9-13(2)14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3,(H2,19,21)
InChIKeyNANZZYFEMJBUBE-UHFFFAOYSA-N
XLogP3.88
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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aniline;ethane;3-phenylbutanal
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4-(2-phenylpropyl)piperidine-2,6-dione
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2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one
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(3R)-3-phenylbutanal
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1-cyclopentyl-5-(2-phenylpropyl)-4,5-dihydroimidazol-2-amine
CID 79521295
2-(2-phenylpropyl)thiolane 1,1-dioxide
CID 70637114
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
4-methyl-2-(2-phenylpropyl)-1,3-thiazinane
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(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
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CID 21344826

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine?
The IUPAC name of 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine (CID 90697203) is 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine.
What is the SMILES notation for 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine?
The canonical SMILES for 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine is CC1C=NC2=C(C1)CC(CC(C)c1ccccc1)C(N)=N2.
What is the InChIKey of 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine?
The InChIKey is NANZZYFEMJBUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-12-8-16-10-15(17(19)21-18(16)20-11-12)9-13(2)14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3,(H2,19,21).
What are the key properties of 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine?
6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-phenylpropyl)-3,4,5,6-tetrahydro-1,8-naphthyridin-2-amine is sourced from PubChem (CID 90697203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).