N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide

C17H32N4O2 — CID 6175559

IUPACN,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
SMILESC/C(CC(C)C)=N/NC(=O)CCCC(=O)N/N=C(/C)CC(C)C
InChIInChI=1S/C17H32N4O2/c1-12(2)10-14(5)18-20-16(22)8-7-9-17(23)21-19-15(6)11-13(3)4/h12-13H,7-11H2,1-6H3,(H,20,22)(H,21,23)/b18-14-,19-15-
InChIKeyHRJXYTJYGYOUTK-DJTQBEGKSA-N
MW324.47 g/mol
LogP3.23
Rot. Bonds10

About N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide

N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide (PubChem CID 6175559) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
PubChem CID6175559
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
SMILESC/C(CC(C)C)=N/NC(=O)CCCC(=O)N/N=C(/C)CC(C)C
InChIInChI=1S/C17H32N4O2/c1-12(2)10-14(5)18-20-16(22)8-7-9-17(23)21-19-15(6)11-13(3)4/h12-13H,7-11H2,1-6H3,(H,20,22)(H,21,23)/b18-14-,19-15-
InChIKeyHRJXYTJYGYOUTK-DJTQBEGKSA-N
XLogP3.23
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
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 N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide (CID 6175559) is N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide is C/C(CC(C)C)=N/NC(=O)CCCC(=O)N/N=C(/C)CC(C)C.
What is the InChIKey of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide?
The InChIKey is HRJXYTJYGYOUTK-DJTQBEGKSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-12(2)10-14(5)18-20-16(22)8-7-9-17(23)21-19-15(6)11-13(3)4/h12-13H,7-11H2,1-6H3,(H,20,22)(H,21,23)/b18-14-,19-15-.
What are the key properties of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide?
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide has a molecular weight of 324.47 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide is sourced from PubChem (CID 6175559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).