4-amino-2-(methylideneamino)hexanedial

C7H12N2O2 — CID 153242909

IUPAC4-amino-2-(methylideneamino)hexanedial
SMILESC=NC(C=O)CC(N)CC=O
InChIInChI=1S/C7H12N2O2/c1-9-7(5-11)4-6(8)2-3-10/h3,5-7H,1-2,4,8H2
InChIKeyWRUJOAGFAYWHJL-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.44
Rot. Bonds6

About 4-amino-2-(methylideneamino)hexanedial

4-amino-2-(methylideneamino)hexanedial (PubChem CID 153242909) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-amino-2-(methylideneamino)hexanedial.

Molecular Properties

Compound Name4-amino-2-(methylideneamino)hexanedial
PubChem CID153242909
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-amino-2-(methylideneamino)hexanedial
SMILESC=NC(C=O)CC(N)CC=O
InChIInChI=1S/C7H12N2O2/c1-9-7(5-11)4-6(8)2-3-10/h3,5-7H,1-2,4,8H2
InChIKeyWRUJOAGFAYWHJL-UHFFFAOYSA-N
XLogP-0.44
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylideneamino)hexanedial?
The IUPAC name of 4-amino-2-(methylideneamino)hexanedial (CID 153242909) is 4-amino-2-(methylideneamino)hexanedial.
What is the SMILES notation for 4-amino-2-(methylideneamino)hexanedial?
The canonical SMILES for 4-amino-2-(methylideneamino)hexanedial is C=NC(C=O)CC(N)CC=O.
What is the InChIKey of 4-amino-2-(methylideneamino)hexanedial?
The InChIKey is WRUJOAGFAYWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-7(5-11)4-6(8)2-3-10/h3,5-7H,1-2,4,8H2.
What are the key properties of 4-amino-2-(methylideneamino)hexanedial?
4-amino-2-(methylideneamino)hexanedial has a molecular weight of 156.19 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylideneamino)hexanedial is sourced from PubChem (CID 153242909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).