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

C12H22N4O2 — CID 3536309

IUPACN,N'-bis(propan-2-ylideneamino)hexanediamide
SMILESCC(C)=NNC(=O)CCCCC(=O)NN=C(C)C
InChIInChI=1S/C12H22N4O2/c1-9(2)13-15-11(17)7-5-6-8-12(18)16-14-10(3)4/h5-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyCTZJJJJQYPHZGV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.57
Rot. Bonds7

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

N,N'-bis(propan-2-ylideneamino)hexanediamide (PubChem CID 3536309) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N'-bis(propan-2-ylideneamino)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(propan-2-ylideneamino)hexanediamide
PubChem CID3536309
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN,N'-bis(propan-2-ylideneamino)hexanediamide
SMILESCC(C)=NNC(=O)CCCCC(=O)NN=C(C)C
InChIInChI=1S/C12H22N4O2/c1-9(2)13-15-11(17)7-5-6-8-12(18)16-14-10(3)4/h5-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyCTZJJJJQYPHZGV-UHFFFAOYSA-N
XLogP1.57
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.57
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,N'-bis(propan-2-ylideneamino)hexanediamide?
The IUPAC name of N,N'-bis(propan-2-ylideneamino)hexanediamide (CID 3536309) is N,N'-bis(propan-2-ylideneamino)hexanediamide.
What is the SMILES notation for N,N'-bis(propan-2-ylideneamino)hexanediamide?
The canonical SMILES for N,N'-bis(propan-2-ylideneamino)hexanediamide is CC(C)=NNC(=O)CCCCC(=O)NN=C(C)C.
What is the InChIKey of N,N'-bis(propan-2-ylideneamino)hexanediamide?
The InChIKey is CTZJJJJQYPHZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)13-15-11(17)7-5-6-8-12(18)16-14-10(3)4/h5-8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N,N'-bis(propan-2-ylideneamino)hexanediamide?
N,N'-bis(propan-2-ylideneamino)hexanediamide has a molecular weight of 254.33 g/mol, XLogP of 1.57, 7 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)hexanediamide is sourced from PubChem (CID 3536309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).