(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine

C16H26N2O — CID 114938948

IUPAC(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
SMILESCOc1ccc(/C=C(/CNC(C)(C)C)C(C)C)cn1
InChIInChI=1S/C16H26N2O/c1-12(2)14(11-18-16(3,4)5)9-13-7-8-15(19-6)17-10-13/h7-10,12,18H,11H2,1-6H3/b14-9-
InChIKeyVCOIPMKMJVSJTK-ZROIWOOFSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds5

About (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine

(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine (PubChem CID 114938948) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
PubChem CID114938948
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
SMILESCOc1ccc(/C=C(/CNC(C)(C)C)C(C)C)cn1
InChIInChI=1S/C16H26N2O/c1-12(2)14(11-18-16(3,4)5)9-13-7-8-15(19-6)17-10-13/h7-10,12,18H,11H2,1-6H3/b14-9-
InChIKeyVCOIPMKMJVSJTK-ZROIWOOFSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine (CID 114938948) is (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine is COc1ccc(/C=C(/CNC(C)(C)C)C(C)C)cn1.
What is the InChIKey of (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is VCOIPMKMJVSJTK-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14(11-18-16(3,4)5)9-13-7-8-15(19-6)17-10-13/h7-10,12,18H,11H2,1-6H3/b14-9-.
What are the key properties of (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine?
(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 114938948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).