N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine

C17H25N3 — CID 166712650

IUPACN-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
SMILESC/N=C(\C1=C(C)CCNC1)C1CC=CC(C)=C1/C=N/C
InChIInChI=1S/C17H25N3/c1-12-6-5-7-14(15(12)10-18-3)17(19-4)16-11-20-9-8-13(16)2/h5-6,10,14,20H,7-9,11H2,1-4H3/b18-10+,19-17-
InChIKeyKJVPGLZGAPZQRS-MNVAPZAZSA-N
MW271.41 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine

N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine (PubChem CID 166712650) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
PubChem CID166712650
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
SMILESC/N=C(\C1=C(C)CCNC1)C1CC=CC(C)=C1/C=N/C
InChIInChI=1S/C17H25N3/c1-12-6-5-7-14(15(12)10-18-3)17(19-4)16-11-20-9-8-13(16)2/h5-6,10,14,20H,7-9,11H2,1-4H3/b18-10+,19-17-
InChIKeyKJVPGLZGAPZQRS-MNVAPZAZSA-N
XLogP2.96
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
5-(6-Methyl-3,4-dihydropyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 87160518
1,2,4a,8,9,10b-Hexahydro-1,10-phenanthroline
CID 89493066
(2Z,4Z)-5-cyclohex-2-en-1-yl-1-N-[5-(3,4-dihydro-2H-pyrrol-5-yl)cyclohexa-1,5-dien-1-yl]hepta-2,4-diene-1,4-diamine
CID 89531193
(4Z,6E)-N-cyclohex-2-en-1-yl-2-[4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-yl]-3,7-dimethyl-2-azabicyclo[6.3.1]dodeca-4,6,10-trien-9-amine
CID 89531199
N-(2-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-2,3-dihydroquinolin-3-amine
CID 89531216
1-N-[(Z,3E)-3-(2-iminoethylidene)hex-4-en-2-yl]-1,2,8,8a-tetrahydronaphthalene-1,8-diamine
CID 89643452
N-[1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-3-iminopropan-1-amine
CID 90048178
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridin-1-ium
CID 91135166
1-Cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine
CID 91473783
5,9-Dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline
CID 91561084

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The IUPAC name of N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine (CID 166712650) is N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The canonical SMILES for N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine is C/N=C(\C1=C(C)CCNC1)C1CC=CC(C)=C1/C=N/C.
What is the InChIKey of N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The InChIKey is KJVPGLZGAPZQRS-MNVAPZAZSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-6-5-7-14(15(12)10-18-3)17(19-4)16-11-20-9-8-13(16)2/h5-6,10,14,20H,7-9,11H2,1-4H3/b18-10+,19-17-.
What are the key properties of N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine has a molecular weight of 271.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine is sourced from PubChem (CID 166712650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).