[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine

C16H23N3 — CID 114459755

IUPAC[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
SMILESCC1=CCN(c2nc3c(cc2CN)CCCC3)CC1
InChIInChI=1S/C16H23N3/c1-12-6-8-19(9-7-12)16-14(11-17)10-13-4-2-3-5-15(13)18-16/h6,10H,2-5,7-9,11,17H2,1H3
InChIKeyNPNAKAWFZGPQJN-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.58
Rot. Bonds2

About [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine

[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine (PubChem CID 114459755) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
PubChem CID114459755
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
SMILESCC1=CCN(c2nc3c(cc2CN)CCCC3)CC1
InChIInChI=1S/C16H23N3/c1-12-6-8-19(9-7-12)16-14(11-17)10-13-4-2-3-5-15(13)18-16/h6,10H,2-5,7-9,11,17H2,1H3
InChIKeyNPNAKAWFZGPQJN-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine with MolForge

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Related Compounds

[2-(4,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 62935971
[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 63604653
4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione
CID 66085814
[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 63156144
[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol
CID 112624253
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
CID 62916668
4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102888406
[2-(2-propylpiperidin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 83052105
[2-(2,2-dimethylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 63215740
3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718
[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412721
[2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412685

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The IUPAC name of [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine (CID 114459755) is [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine.
What is the SMILES notation for [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The canonical SMILES for [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine is CC1=CCN(c2nc3c(cc2CN)CCCC3)CC1.
What is the InChIKey of [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The InChIKey is NPNAKAWFZGPQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-6-8-19(9-7-12)16-14(11-17)10-13-4-2-3-5-15(13)18-16/h6,10H,2-5,7-9,11,17H2,1H3.
What are the key properties of [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine is sourced from PubChem (CID 114459755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).