(4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium

C12H21N2+ — CID 123902353

IUPAC(4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium
SMILESC=[N+](C)CC1=NC(C)=CC(CC)C1C
InChIInChI=1S/C12H21N2/c1-6-11-7-9(2)13-12(10(11)3)8-14(4)5/h7,10-11H,4,6,8H2,1-3,5H3/q+1
InChIKeyCFIXNAXSEZFASB-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.35
Rot. Bonds3

About (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium

(4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium (PubChem CID 123902353) has the molecular formula C12H21N2+ and a molecular weight of 193.31 g/mol. Its IUPAC name is (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium.

Molecular Properties

Compound Name(4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium
PubChem CID123902353
Molecular FormulaC12H21N2+
Molecular Weight193.31 g/mol
Exact Mass193.17
IUPAC Name(4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium
SMILESC=[N+](C)CC1=NC(C)=CC(CC)C1C
InChIInChI=1S/C12H21N2/c1-6-11-7-9(2)13-12(10(11)3)8-14(4)5/h7,10-11H,4,6,8H2,1-3,5H3/q+1
InChIKeyCFIXNAXSEZFASB-UHFFFAOYSA-N
XLogP2.35
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
CID 123241621
N,N-dimethyl-2-(1,3,7-trimethyl-4,5-dihydro-3H-azepin-1-ium-4-yl)ethanamine
CID 123383668
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine
CID 146207418
N,N,2,3-tetramethyl-4,4a,5,6-tetrahydroquinolin-7-amine
CID 146555145
(Z)-5-N-ethyl-2,10-dimethyl-7-N-methylideneundec-6-ene-5,7-diimine
CID 167443347
6-(2-Methylpropyl)-3-propan-2-yl-3,4-dihydropyridine
CID 170267521
(3,4-Diethylcyclohexen-1-yl)-methyl-methylideneazanium
CID 174295793
6-Heptan-3-yl-3,4-dihydropyridine
CID 143661058

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium?
The IUPAC name of (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium (CID 123902353) is (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium.
What is the SMILES notation for (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium?
The canonical SMILES for (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium is C=[N+](C)CC1=NC(C)=CC(CC)C1C.
What is the InChIKey of (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium?
The InChIKey is CFIXNAXSEZFASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2/c1-6-11-7-9(2)13-12(10(11)3)8-14(4)5/h7,10-11H,4,6,8H2,1-3,5H3/q+1.
What are the key properties of (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium?
(4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium has a molecular weight of 193.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3,6-dimethyl-3,4-dihydropyridin-2-yl)methyl-methyl-methylideneazanium is sourced from PubChem (CID 123902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).