N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine

C12H20N2 — CID 170615933

IUPACN-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine
SMILESCC/N=C/N1C=CC(C(C)C)=CC1C
InChIInChI=1S/C12H20N2/c1-5-13-9-14-7-6-12(10(2)3)8-11(14)4/h6-11H,5H2,1-4H3/b13-9+
InChIKeyVRNWFKPAIBHOCQ-UKTHLTGXSA-N
MW192.31 g/mol
LogP2.83
Rot. Bonds3

About N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine

N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine (PubChem CID 170615933) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine
PubChem CID170615933
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine
SMILESCC/N=C/N1C=CC(C(C)C)=CC1C
InChIInChI=1S/C12H20N2/c1-5-13-9-14-7-6-12(10(2)3)8-11(14)4/h6-11H,5H2,1-4H3/b13-9+
InChIKeyVRNWFKPAIBHOCQ-UKTHLTGXSA-N
XLogP2.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.83
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

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1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine?
The IUPAC name of N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine (CID 170615933) is N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine.
What is the SMILES notation for N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine?
The canonical SMILES for N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine is CC/N=C/N1C=CC(C(C)C)=CC1C.
What is the InChIKey of N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine?
The InChIKey is VRNWFKPAIBHOCQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-13-9-14-7-6-12(10(2)3)8-11(14)4/h6-11H,5H2,1-4H3/b13-9+.
What are the key properties of N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine?
N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.83, 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-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine is sourced from PubChem (CID 170615933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).