N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine

C12H18N2 — CID 146366733

IUPACN-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine
SMILESC=NN1C=CC=C/C1=C(/C)C(C)(C)C
InChIInChI=1S/C12H18N2/c1-10(12(2,3)4)11-8-6-7-9-14(11)13-5/h6-9H,5H2,1-4H3/b11-10+
InChIKeyDXNPONOILHZGFM-ZHACJKMWSA-N
MW190.29 g/mol
LogP3.31
Rot. Bonds1

About N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine

N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine (PubChem CID 146366733) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine
PubChem CID146366733
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine
SMILESC=NN1C=CC=C/C1=C(/C)C(C)(C)C
InChIInChI=1S/C12H18N2/c1-10(12(2,3)4)11-8-6-7-9-14(11)13-5/h6-9H,5H2,1-4H3/b11-10+
InChIKeyDXNPONOILHZGFM-ZHACJKMWSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
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 N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine?
The IUPAC name of N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine (CID 146366733) is N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine.
What is the SMILES notation for N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine?
The canonical SMILES for N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine is C=NN1C=CC=C/C1=C(/C)C(C)(C)C.
What is the InChIKey of N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine?
The InChIKey is DXNPONOILHZGFM-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(12(2,3)4)11-8-6-7-9-14(11)13-5/h6-9H,5H2,1-4H3/b11-10+.
What are the key properties of N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine?
N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine has a molecular weight of 190.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine is sourced from PubChem (CID 146366733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).