N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide

C14H26N4O2 — CID 47005913

IUPACN-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide
SMILESCC/C(C)=N\NC(=O)CCCCC(=O)N/N=C(\C)CC
InChIInChI=1S/C14H26N4O2/c1-5-11(3)15-17-13(19)9-7-8-10-14(20)18-16-12(4)6-2/h5-10H2,1-4H3,(H,17,19)(H,18,20)/b15-11-,16-12+
InChIKeyZNOZNJLCGJQBMZ-UKVBVZPVSA-N
MW282.39 g/mol
LogP2.35
Rot. Bonds9

About N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide

N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide (PubChem CID 47005913) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide
PubChem CID47005913
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide
SMILESCC/C(C)=N\NC(=O)CCCCC(=O)N/N=C(\C)CC
InChIInChI=1S/C14H26N4O2/c1-5-11(3)15-17-13(19)9-7-8-10-14(20)18-16-12(4)6-2/h5-10H2,1-4H3,(H,17,19)(H,18,20)/b15-11-,16-12+
InChIKeyZNOZNJLCGJQBMZ-UKVBVZPVSA-N
XLogP2.35
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide (CID 47005913) is N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide is CC/C(C)=N\NC(=O)CCCCC(=O)N/N=C(\C)CC.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide?
The InChIKey is ZNOZNJLCGJQBMZ-UKVBVZPVSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-11(3)15-17-13(19)9-7-8-10-14(20)18-16-12(4)6-2/h5-10H2,1-4H3,(H,17,19)(H,18,20)/b15-11-,16-12+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide?
N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide has a molecular weight of 282.39 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide is sourced from PubChem (CID 47005913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).