3-amino-2-imino-N-methylbutanamide

C5H11N3O — CID 163414463

IUPAC3-amino-2-imino-N-methylbutanamide
SMILES[H]/N=C(/C(=O)NC)C(C)N
InChIInChI=1S/C5H11N3O/c1-3(6)4(7)5(9)8-2/h3,7H,6H2,1-2H3,(H,8,9)/b7-4+
InChIKeyADFBZDIUKHTKGI-QPJJXVBHSA-N
MW129.16 g/mol
LogP-0.90
Rot. Bonds2

About 3-amino-2-imino-N-methylbutanamide

3-amino-2-imino-N-methylbutanamide (PubChem CID 163414463) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-2-imino-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-2-imino-N-methylbutanamide
PubChem CID163414463
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-amino-2-imino-N-methylbutanamide
SMILES[H]/N=C(/C(=O)NC)C(C)N
InChIInChI=1S/C5H11N3O/c1-3(6)4(7)5(9)8-2/h3,7H,6H2,1-2H3,(H,8,9)/b7-4+
InChIKeyADFBZDIUKHTKGI-QPJJXVBHSA-N
XLogP-0.90
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methylbutanamide hydrochloride
CID 56773748
3-(Methylamino)butanamide
CID 54855511
(3S)-3-amino-N-methylbutanamide
CID 10374445
3-Amino-N-methylbutanamide
CID 17797104
N-methyl-3-(methylamino)butanamide
CID 21051523
[4-(Methylamino)-4-oxobutan-2-yl]azanium
CID 21359046
(3R)-3-amino-N-methylbutanamide
CID 22845902
(3S)-N-methyl-3-(methylamino)butanamide
CID 44141746
3-imino-N-propylbutanamide
CID 53851975
3-imino-N-propan-2-ylbutanamide
CID 54134004
3-amino-2-imino-N-propylpropanamide
CID 54157115
N-cyclopropyl-3-iminobutanamide
CID 54206758

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-imino-N-methylbutanamide?
The IUPAC name of 3-amino-2-imino-N-methylbutanamide (CID 163414463) is 3-amino-2-imino-N-methylbutanamide.
What is the SMILES notation for 3-amino-2-imino-N-methylbutanamide?
The canonical SMILES for 3-amino-2-imino-N-methylbutanamide is [H]/N=C(/C(=O)NC)C(C)N.
What is the InChIKey of 3-amino-2-imino-N-methylbutanamide?
The InChIKey is ADFBZDIUKHTKGI-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3(6)4(7)5(9)8-2/h3,7H,6H2,1-2H3,(H,8,9)/b7-4+.
What are the key properties of 3-amino-2-imino-N-methylbutanamide?
3-amino-2-imino-N-methylbutanamide has a molecular weight of 129.16 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-imino-N-methylbutanamide is sourced from PubChem (CID 163414463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).