N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine

C12H18N2 — CID 164767453

IUPACN-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine
SMILESC=C1C(C(C)C)=CC=CN1/C=N/CC
InChIInChI=1S/C12H18N2/c1-5-13-9-14-8-6-7-12(10(2)3)11(14)4/h6-10H,4-5H2,1-3H3/b13-9+
InChIKeyKGWLNHACGYOKKX-UKTHLTGXSA-N
MW190.29 g/mol
LogP2.96
Rot. Bonds3

About N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine

N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine (PubChem CID 164767453) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine
PubChem CID164767453
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine
SMILESC=C1C(C(C)C)=CC=CN1/C=N/CC
InChIInChI=1S/C12H18N2/c1-5-13-9-14-8-6-7-12(10(2)3)11(14)4/h6-10H,4-5H2,1-3H3/b13-9+
InChIKeyKGWLNHACGYOKKX-UKTHLTGXSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1,1-dimethylimidazol-1-ium
CID 164178981
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azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
1-Methyl-6-methylidene-4,5-di(propan-2-yl)pyrimidine
CID 68238808
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide
CID 88884589
5-Propan-2-yl-4-propyl-6,7-dihydropyrrolo[1,2-c]pyrimidine
CID 90857986
1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane
CID 91231787
7-Methyl-6,7-dihydropyrimido[1,6-a]azepine
CID 117656108
N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide
CID 123806707
1-(Cyclohexa-2,4-dien-1-ylmethyl)-3-methyl-5,6-dihydrobenzimidazol-3-ium
CID 123877246
1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
CID 134526418

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine?
The IUPAC name of N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine (CID 164767453) is N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine.
What is the SMILES notation for N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine?
The canonical SMILES for N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine is C=C1C(C(C)C)=CC=CN1/C=N/CC.
What is the InChIKey of N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine?
The InChIKey is KGWLNHACGYOKKX-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-13-9-14-8-6-7-12(10(2)3)11(14)4/h6-10H,4-5H2,1-3H3/b13-9+.
What are the key properties of N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine?
N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine has a molecular weight of 190.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine is sourced from PubChem (CID 164767453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).