2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine

C13H20N4 — CID 134458210

IUPAC2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine
SMILESC=CN(/N=C(/C)CCCC)c1ccc(N)cn1
InChIInChI=1S/C13H20N4/c1-4-6-7-11(3)16-17(5-2)13-9-8-12(14)10-15-13/h5,8-10H,2,4,6-7,14H2,1,3H3/b16-11-
InChIKeyOPBSBSQOAZDEHX-WJDWOHSUSA-N
MW232.33 g/mol
LogP3.18
Rot. Bonds6

About 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine

2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine (PubChem CID 134458210) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine
PubChem CID134458210
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine
SMILESC=CN(/N=C(/C)CCCC)c1ccc(N)cn1
InChIInChI=1S/C13H20N4/c1-4-6-7-11(3)16-17(5-2)13-9-8-12(14)10-15-13/h5,8-10H,2,4,6-7,14H2,1,3H3/b16-11-
InChIKeyOPBSBSQOAZDEHX-WJDWOHSUSA-N
XLogP3.18
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.18
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 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine?
The IUPAC name of 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine (CID 134458210) is 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine?
The canonical SMILES for 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine is C=CN(/N=C(/C)CCCC)c1ccc(N)cn1.
What is the InChIKey of 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine?
The InChIKey is OPBSBSQOAZDEHX-WJDWOHSUSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-6-7-11(3)16-17(5-2)13-9-8-12(14)10-15-13/h5,8-10H,2,4,6-7,14H2,1,3H3/b16-11-.
What are the key properties of 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine?
2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine has a molecular weight of 232.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine is sourced from PubChem (CID 134458210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).