N,N'-bis(propan-2-ylideneamino)butanediamide

C10H18N4O2 — CID 4274992

IUPACN,N'-bis(propan-2-ylideneamino)butanediamide
SMILESCC(C)=NNC(=O)CCC(=O)NN=C(C)C
InChIInChI=1S/C10H18N4O2/c1-7(2)11-13-9(15)5-6-10(16)14-12-8(3)4/h5-6H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyDEIWXNZMYZYOQC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.79
Rot. Bonds5

About N,N'-bis(propan-2-ylideneamino)butanediamide

N,N'-bis(propan-2-ylideneamino)butanediamide (PubChem CID 4274992) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N'-bis(propan-2-ylideneamino)butanediamide.

Molecular Properties

Compound NameN,N'-bis(propan-2-ylideneamino)butanediamide
PubChem CID4274992
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN,N'-bis(propan-2-ylideneamino)butanediamide
SMILESCC(C)=NNC(=O)CCC(=O)NN=C(C)C
InChIInChI=1S/C10H18N4O2/c1-7(2)11-13-9(15)5-6-10(16)14-12-8(3)4/h5-6H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyDEIWXNZMYZYOQC-UHFFFAOYSA-N
XLogP0.79
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.79
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(propan-2-ylideneamino)butanediamide?
The IUPAC name of N,N'-bis(propan-2-ylideneamino)butanediamide (CID 4274992) is N,N'-bis(propan-2-ylideneamino)butanediamide.
What is the SMILES notation for N,N'-bis(propan-2-ylideneamino)butanediamide?
The canonical SMILES for N,N'-bis(propan-2-ylideneamino)butanediamide is CC(C)=NNC(=O)CCC(=O)NN=C(C)C.
What is the InChIKey of N,N'-bis(propan-2-ylideneamino)butanediamide?
The InChIKey is DEIWXNZMYZYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)11-13-9(15)5-6-10(16)14-12-8(3)4/h5-6H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N,N'-bis(propan-2-ylideneamino)butanediamide?
N,N'-bis(propan-2-ylideneamino)butanediamide has a molecular weight of 226.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(propan-2-ylideneamino)butanediamide is sourced from PubChem (CID 4274992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).