[5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine

C12H18N2 — CID 142376774

IUPAC[5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine
SMILES[H]/N=C/N1C=C(C(C)(C)CC)C=CC1=C
InChIInChI=1S/C12H18N2/c1-5-12(3,4)11-7-6-10(2)14(8-11)9-13/h6-9,13H,2,5H2,1,3-4H3/b13-9+
InChIKeyODXFKVHVSAGDBZ-UKTHLTGXSA-N
MW190.29 g/mol
LogP3.30
Rot. Bonds3

About [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine

[5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine (PubChem CID 142376774) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine.

Molecular Properties

Compound Name[5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine
PubChem CID142376774
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine
SMILES[H]/N=C/N1C=C(C(C)(C)CC)C=CC1=C
InChIInChI=1S/C12H18N2/c1-5-12(3,4)11-7-6-10(2)14(8-11)9-13/h6-9,13H,2,5H2,1,3-4H3/b13-9+
InChIKeyODXFKVHVSAGDBZ-UKTHLTGXSA-N
XLogP3.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
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

Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578306
N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578307

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine?
The IUPAC name of [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine (CID 142376774) is [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine.
What is the SMILES notation for [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine?
The canonical SMILES for [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine is [H]/N=C/N1C=C(C(C)(C)CC)C=CC1=C.
What is the InChIKey of [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine?
The InChIKey is ODXFKVHVSAGDBZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-12(3,4)11-7-6-10(2)14(8-11)9-13/h6-9,13H,2,5H2,1,3-4H3/b13-9+.
What are the key properties of [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine?
[5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine has a molecular weight of 190.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine is sourced from PubChem (CID 142376774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).