(Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine

C12H20N2 — CID 145406954

IUPAC(Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine
SMILESC/C=N\N1C=CC=CC1C(C)CCC
InChIInChI=1S/C12H20N2/c1-4-8-11(3)12-9-6-7-10-14(12)13-5-2/h5-7,9-12H,4,8H2,1-3H3/b13-5-
InChIKeyVLTURGFTLGOQNJ-ACAGNQJTSA-N
MW192.31 g/mol
LogP3.18
Rot. Bonds4

About (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine

(Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine (PubChem CID 145406954) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine
PubChem CID145406954
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine
SMILESC/C=N\N1C=CC=CC1C(C)CCC
InChIInChI=1S/C12H20N2/c1-4-8-11(3)12-9-6-7-10-14(12)13-5-2/h5-7,9-12H,4,8H2,1-3H3/b13-5-
InChIKeyVLTURGFTLGOQNJ-ACAGNQJTSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.18
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 (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine?
The IUPAC name of (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine (CID 145406954) is (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine.
What is the SMILES notation for (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine?
The canonical SMILES for (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine is C/C=N\N1C=CC=CC1C(C)CCC.
What is the InChIKey of (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine?
The InChIKey is VLTURGFTLGOQNJ-ACAGNQJTSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-8-11(3)12-9-6-7-10-14(12)13-5-2/h5-7,9-12H,4,8H2,1-3H3/b13-5-.
What are the key properties of (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine?
(Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine has a molecular weight of 192.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-pentan-2-yl-2H-pyridin-1-yl)ethanimine is sourced from PubChem (CID 145406954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).