N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine

C11H16N2 — CID 163250845

IUPACN-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine
SMILESC=NN1C=C(C(C)C)C=C/C1=C/C
InChIInChI=1S/C11H16N2/c1-5-11-7-6-10(9(2)3)8-13(11)12-4/h5-9H,4H2,1-3H3/b11-5-
InChIKeyWXSKURJEJARDCP-WZUFQYTHSA-N
MW176.26 g/mol
LogP2.92
Rot. Bonds2

About N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine

N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine (PubChem CID 163250845) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine
PubChem CID163250845
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine
SMILESC=NN1C=C(C(C)C)C=C/C1=C/C
InChIInChI=1S/C11H16N2/c1-5-11-7-6-10(9(2)3)8-13(11)12-4/h5-9H,4H2,1-3H3/b11-5-
InChIKeyWXSKURJEJARDCP-WZUFQYTHSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.92
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-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine?
The IUPAC name of N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine (CID 163250845) is N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine.
What is the SMILES notation for N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine?
The canonical SMILES for N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine is C=NN1C=C(C(C)C)C=C/C1=C/C.
What is the InChIKey of N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine?
The InChIKey is WXSKURJEJARDCP-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-11-7-6-10(9(2)3)8-13(11)12-4/h5-9H,4H2,1-3H3/b11-5-.
What are the key properties of N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine?
N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine is sourced from PubChem (CID 163250845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).