(Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine

C11H17N3 — CID 146480134

IUPAC(Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine
SMILESC=N/N=c1/cc(C(C)(C)C)ccn1C
InChIInChI=1S/C11H17N3/c1-11(2,3)9-6-7-14(5)10(8-9)13-12-4/h6-8H,4H2,1-3,5H3/b13-10-
InChIKeyGVVMKZQKUOTDIZ-RAXLEYEMSA-N
MW191.28 g/mol
LogP1.84
Rot. Bonds1

About (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine

(Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine (PubChem CID 146480134) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine.

Molecular Properties

Compound Name(Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine
PubChem CID146480134
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine
SMILESC=N/N=c1/cc(C(C)(C)C)ccn1C
InChIInChI=1S/C11H17N3/c1-11(2,3)9-6-7-14(5)10(8-9)13-12-4/h6-8H,4H2,1-3,5H3/b13-10-
InChIKeyGVVMKZQKUOTDIZ-RAXLEYEMSA-N
XLogP1.84
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine?
The IUPAC name of (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine (CID 146480134) is (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine.
What is the SMILES notation for (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine?
The canonical SMILES for (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine is C=N/N=c1/cc(C(C)(C)C)ccn1C.
What is the InChIKey of (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine?
The InChIKey is GVVMKZQKUOTDIZ-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,3)9-6-7-14(5)10(8-9)13-12-4/h6-8H,4H2,1-3,5H3/b13-10-.
What are the key properties of (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine?
(Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine has a molecular weight of 191.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-tert-butyl-1-methyl-N-(methylideneamino)pyridin-2-imine is sourced from PubChem (CID 146480134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).