N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine

C13H16N2 — CID 143874010

IUPACN-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
SMILESC=NC1=C(C)CCNC1c1ccccc1
InChIInChI=1S/C13H16N2/c1-10-8-9-15-13(12(10)14-2)11-6-4-3-5-7-11/h3-7,13,15H,2,8-9H2,1H3
InChIKeyPQTAREHQTRAAAI-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.70
Rot. Bonds2

About N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine

N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine (PubChem CID 143874010) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
PubChem CID143874010
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
SMILESC=NC1=C(C)CCNC1c1ccccc1
InChIInChI=1S/C13H16N2/c1-10-8-9-15-13(12(10)14-2)11-6-4-3-5-7-11/h3-7,13,15H,2,8-9H2,1H3
InChIKeyPQTAREHQTRAAAI-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
ethane;(2S)-2-phenylaziridine
CID 145185749
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
6-methyl-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 141264925
(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CID 165460607
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 84697255
2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 83665608
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
2,3-diphenylpiperazine;hydrochloride
CID 175072756

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The IUPAC name of N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine (CID 143874010) is N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine.
What is the SMILES notation for N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The canonical SMILES for N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine is C=NC1=C(C)CCNC1c1ccccc1.
What is the InChIKey of N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The InChIKey is PQTAREHQTRAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-8-9-15-13(12(10)14-2)11-6-4-3-5-7-11/h3-7,13,15H,2,8-9H2,1H3.
What are the key properties of N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine has a molecular weight of 200.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-phenyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine is sourced from PubChem (CID 143874010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).