4-amino-2-methyl-4-methyliminobutanamide

C6H13N3O — CID 123560560

IUPAC4-amino-2-methyl-4-methyliminobutanamide
SMILESC/N=C(\N)CC(C)C(N)=O
InChIInChI=1S/C6H13N3O/c1-4(6(8)10)3-5(7)9-2/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyQODFVHGBJIVCBQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.52
Rot. Bonds3

About 4-amino-2-methyl-4-methyliminobutanamide

4-amino-2-methyl-4-methyliminobutanamide (PubChem CID 123560560) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-amino-2-methyl-4-methyliminobutanamide.

Molecular Properties

Compound Name4-amino-2-methyl-4-methyliminobutanamide
PubChem CID123560560
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-amino-2-methyl-4-methyliminobutanamide
SMILESC/N=C(\N)CC(C)C(N)=O
InChIInChI=1S/C6H13N3O/c1-4(6(8)10)3-5(7)9-2/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyQODFVHGBJIVCBQ-UHFFFAOYSA-N
XLogP-0.52
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)butanamide
CID 21720730
2,6-diamino-5-ethyl-5H-pyrimidin-4-one
CID 78176617
4-Amino-4-imino-3-methylbutanamide
CID 84073546
2-(N'-propylcarbamimidoyl)butanamide
CID 87476604
4-Amino-4-ethyliminobutanamide
CID 87477660
4-Amino-4-butyliminobutanamide
CID 87595156
3-Amino-2-methyl-3-methyliminopropanamide
CID 87596185
4-Amino-4-methyliminobutanamide
CID 87596187
N-(1-aminoethylidene)cyclopropanecarboxamide
CID 89227233
N-(1-amino-2-methylpropylidene)acetamide
CID 90690507
4-Amino-4-propan-2-yliminobutanamide
CID 90897471
5-Amino-3-methyl-3,4-dihydropyrrol-2-one
CID 90930062

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-4-methyliminobutanamide?
The IUPAC name of 4-amino-2-methyl-4-methyliminobutanamide (CID 123560560) is 4-amino-2-methyl-4-methyliminobutanamide.
What is the SMILES notation for 4-amino-2-methyl-4-methyliminobutanamide?
The canonical SMILES for 4-amino-2-methyl-4-methyliminobutanamide is C/N=C(\N)CC(C)C(N)=O.
What is the InChIKey of 4-amino-2-methyl-4-methyliminobutanamide?
The InChIKey is QODFVHGBJIVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(6(8)10)3-5(7)9-2/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10).
What are the key properties of 4-amino-2-methyl-4-methyliminobutanamide?
4-amino-2-methyl-4-methyliminobutanamide has a molecular weight of 143.19 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-4-methyliminobutanamide is sourced from PubChem (CID 123560560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).