2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine

C12H18N2 — CID 145259454

IUPAC2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine
SMILESC=C1NC=CC(C)=C1/N=C/C(C)CC
InChIInChI=1S/C12H18N2/c1-5-9(2)8-14-12-10(3)6-7-13-11(12)4/h6-9,13H,4-5H2,1-3H3/b14-8+
InChIKeyYTBVOFVCTQWRDB-RIYZIHGNSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine

2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine (PubChem CID 145259454) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine
PubChem CID145259454
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine
SMILESC=C1NC=CC(C)=C1/N=C/C(C)CC
InChIInChI=1S/C12H18N2/c1-5-9(2)8-14-12-10(3)6-7-13-11(12)4/h6-9,13H,4-5H2,1-3H3/b14-8+
InChIKeyYTBVOFVCTQWRDB-RIYZIHGNSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
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 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine?
The IUPAC name of 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine (CID 145259454) is 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine?
The canonical SMILES for 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine is C=C1NC=CC(C)=C1/N=C/C(C)CC.
What is the InChIKey of 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine?
The InChIKey is YTBVOFVCTQWRDB-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-9(2)8-14-12-10(3)6-7-13-11(12)4/h6-9,13H,4-5H2,1-3H3/b14-8+.
What are the key properties of 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine?
2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine has a molecular weight of 190.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-methylidene-1H-pyridin-3-yl)butan-1-imine is sourced from PubChem (CID 145259454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).