1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine

C11H16N2 — CID 123651522

IUPAC1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
SMILES[H]/N=C(\C)CC1=NC(C)=CC/C1=C/C
InChIInChI=1S/C11H16N2/c1-4-10-6-5-9(3)13-11(10)7-8(2)12/h4-5,12H,6-7H2,1-3H3/b10-4-,12-8+
InChIKeySQKZOHXTNDDFIS-OZSAWRBNSA-N
MW176.26 g/mol
LogP3.11
Rot. Bonds2

About 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine

1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine (PubChem CID 123651522) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine.

Molecular Properties

Compound Name1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
PubChem CID123651522
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
SMILES[H]/N=C(\C)CC1=NC(C)=CC/C1=C/C
InChIInChI=1S/C11H16N2/c1-4-10-6-5-9(3)13-11(10)7-8(2)12/h4-5,12H,6-7H2,1-3H3/b10-4-,12-8+
InChIKeySQKZOHXTNDDFIS-OZSAWRBNSA-N
XLogP3.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?
The IUPAC name of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine (CID 123651522) is 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine.
What is the SMILES notation for 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?
The canonical SMILES for 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine is [H]/N=C(\C)CC1=NC(C)=CC/C1=C/C.
What is the InChIKey of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?
The InChIKey is SQKZOHXTNDDFIS-OZSAWRBNSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10-6-5-9(3)13-11(10)7-8(2)12/h4-5,12H,6-7H2,1-3H3/b10-4-,12-8+.
What are the key properties of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?
1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine has a molecular weight of 176.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine is sourced from PubChem (CID 123651522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).