N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine

C17H26N2 — CID 170140928

IUPACN-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine
SMILESC/N=C/C1=C(C)CCN(C(C)C2=CCC(C)C=C2)C1
InChIInChI=1S/C17H26N2/c1-13-5-7-16(8-6-13)15(3)19-10-9-14(2)17(12-19)11-18-4/h5,7-8,11,13,15H,6,9-10,12H2,1-4H3/b18-11+
InChIKeyMKHBETPWYKADKO-WOJGMQOQSA-N
MW258.41 g/mol
LogP3.62
Rot. Bonds3

About N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine

N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine (PubChem CID 170140928) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine
PubChem CID170140928
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine
SMILESC/N=C/C1=C(C)CCN(C(C)C2=CCC(C)C=C2)C1
InChIInChI=1S/C17H26N2/c1-13-5-7-16(8-6-13)15(3)19-10-9-14(2)17(12-19)11-18-4/h5,7-8,11,13,15H,6,9-10,12H2,1-4H3/b18-11+
InChIKeyMKHBETPWYKADKO-WOJGMQOQSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine?
The IUPAC name of N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine (CID 170140928) is N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine.
What is the SMILES notation for N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine?
The canonical SMILES for N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine is C/N=C/C1=C(C)CCN(C(C)C2=CCC(C)C=C2)C1.
What is the InChIKey of N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine?
The InChIKey is MKHBETPWYKADKO-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-5-7-16(8-6-13)15(3)19-10-9-14(2)17(12-19)11-18-4/h5,7-8,11,13,15H,6,9-10,12H2,1-4H3/b18-11+.
What are the key properties of N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine?
N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine has a molecular weight of 258.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine is sourced from PubChem (CID 170140928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).