2-(aminomethylidene)-3-methyliminobutanal

C6H10N2O — CID 148530432

IUPAC2-(aminomethylidene)-3-methyliminobutanal
SMILESC/N=C(\C)C(C=O)=CN
InChIInChI=1S/C6H10N2O/c1-5(8-2)6(3-7)4-9/h3-4H,7H2,1-2H3/b6-3?,8-5+
InChIKeyQRIMOOXDJOMELY-DUMFPOCZSA-N
MW126.16 g/mol
LogP0.12
Rot. Bonds2

About 2-(aminomethylidene)-3-methyliminobutanal

2-(aminomethylidene)-3-methyliminobutanal (PubChem CID 148530432) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(aminomethylidene)-3-methyliminobutanal.

Molecular Properties

Compound Name2-(aminomethylidene)-3-methyliminobutanal
PubChem CID148530432
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(aminomethylidene)-3-methyliminobutanal
SMILESC/N=C(\C)C(C=O)=CN
InChIInChI=1S/C6H10N2O/c1-5(8-2)6(3-7)4-9/h3-4H,7H2,1-2H3/b6-3?,8-5+
InChIKeyQRIMOOXDJOMELY-DUMFPOCZSA-N
XLogP0.12
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-methyliminobutanal
CID 89008720
(2E)-2-(aminomethylidene)-3-ethyliminobutanal
CID 144348467
(E)-3-amino-2-(propan-2-yliminomethyl)prop-2-enal
CID 153391948
[(Z)-2-methyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]iminobut-1-enyl]thallium
CID 163923023
(3Z)-3-(aminomethylidene)-2-methyliminopentanal
CID 165170533
2-(Aminomethylidene)-3-ethyliminobutanal
CID 173888691
2-(Aminomethylidene)-3-cyclopropyliminopentanal
CID 143110531
(2E)-2-[(propan-2-ylideneamino)methylidene]butanal
CID 144118874
3-(Aminomethylidene)-2-methyliminopentanal
CID 167687625

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylidene)-3-methyliminobutanal?
The IUPAC name of 2-(aminomethylidene)-3-methyliminobutanal (CID 148530432) is 2-(aminomethylidene)-3-methyliminobutanal.
What is the SMILES notation for 2-(aminomethylidene)-3-methyliminobutanal?
The canonical SMILES for 2-(aminomethylidene)-3-methyliminobutanal is C/N=C(\C)C(C=O)=CN.
What is the InChIKey of 2-(aminomethylidene)-3-methyliminobutanal?
The InChIKey is QRIMOOXDJOMELY-DUMFPOCZSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(8-2)6(3-7)4-9/h3-4H,7H2,1-2H3/b6-3?,8-5+.
What are the key properties of 2-(aminomethylidene)-3-methyliminobutanal?
2-(aminomethylidene)-3-methyliminobutanal has a molecular weight of 126.16 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylidene)-3-methyliminobutanal is sourced from PubChem (CID 148530432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).