1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine

C13H18N4 — CID 139424601

IUPAC1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine
SMILESC=C(N/N=C(\C)c1cccc(C)n1)N1CCC1
InChIInChI=1S/C13H18N4/c1-10-6-4-7-13(14-10)11(2)15-16-12(3)17-8-5-9-17/h4,6-7,16H,3,5,8-9H2,1-2H3/b15-11+
InChIKeyOUKABPKPKIVMBP-RVDMUPIBSA-N
MW230.31 g/mol
LogP1.88
Rot. Bonds4

About 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine

1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine (PubChem CID 139424601) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine.

Molecular Properties

Compound Name1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine
PubChem CID139424601
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine
SMILESC=C(N/N=C(\C)c1cccc(C)n1)N1CCC1
InChIInChI=1S/C13H18N4/c1-10-6-4-7-13(14-10)11(2)15-16-12(3)17-8-5-9-17/h4,6-7,16H,3,5,8-9H2,1-2H3/b15-11+
InChIKeyOUKABPKPKIVMBP-RVDMUPIBSA-N
XLogP1.88
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine?
The IUPAC name of 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine (CID 139424601) is 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine.
What is the SMILES notation for 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine?
The canonical SMILES for 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine is C=C(N/N=C(\C)c1cccc(C)n1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine?
The InChIKey is OUKABPKPKIVMBP-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-6-4-7-13(14-10)11(2)15-16-12(3)17-8-5-9-17/h4,6-7,16H,3,5,8-9H2,1-2H3/b15-11+.
What are the key properties of 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine?
1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine has a molecular weight of 230.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine is sourced from PubChem (CID 139424601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).