3-(aminomethylidene)-2-methyliminopentanal

C7H12N2O — CID 167687625

IUPAC3-(aminomethylidene)-2-methyliminopentanal
SMILESCCC(=CN)/C(C=O)=N/C
InChIInChI=1S/C7H12N2O/c1-3-6(4-8)7(5-10)9-2/h4-5H,3,8H2,1-2H3/b6-4?,9-7+
InChIKeyZNVICFRJQOLQTM-QBFAWUHBSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds3

About 3-(aminomethylidene)-2-methyliminopentanal

3-(aminomethylidene)-2-methyliminopentanal (PubChem CID 167687625) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(aminomethylidene)-2-methyliminopentanal.

Molecular Properties

Compound Name3-(aminomethylidene)-2-methyliminopentanal
PubChem CID167687625
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(aminomethylidene)-2-methyliminopentanal
SMILESCCC(=CN)/C(C=O)=N/C
InChIInChI=1S/C7H12N2O/c1-3-6(4-8)7(5-10)9-2/h4-5H,3,8H2,1-2H3/b6-4?,9-7+
InChIKeyZNVICFRJQOLQTM-QBFAWUHBSA-N
XLogP0.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethylidene)-2-methyliminopentanal?
The IUPAC name of 3-(aminomethylidene)-2-methyliminopentanal (CID 167687625) is 3-(aminomethylidene)-2-methyliminopentanal.
What is the SMILES notation for 3-(aminomethylidene)-2-methyliminopentanal?
The canonical SMILES for 3-(aminomethylidene)-2-methyliminopentanal is CCC(=CN)/C(C=O)=N/C.
What is the InChIKey of 3-(aminomethylidene)-2-methyliminopentanal?
The InChIKey is ZNVICFRJQOLQTM-QBFAWUHBSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(4-8)7(5-10)9-2/h4-5H,3,8H2,1-2H3/b6-4?,9-7+.
What are the key properties of 3-(aminomethylidene)-2-methyliminopentanal?
3-(aminomethylidene)-2-methyliminopentanal has a molecular weight of 140.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethylidene)-2-methyliminopentanal is sourced from PubChem (CID 167687625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).