4-amino-3-methyliminopentan-2-one

C6H12N2O — CID 123465200

IUPAC4-amino-3-methyliminopentan-2-one
SMILESC/N=C(\C(C)=O)C(C)N
InChIInChI=1S/C6H12N2O/c1-4(7)6(8-3)5(2)9/h4H,7H2,1-3H3/b8-6-
InChIKeyUVQGDWQNXDJGFB-VURMDHGXSA-N
MW128.17 g/mol
LogP-0.01
Rot. Bonds2

About 4-amino-3-methyliminopentan-2-one

4-amino-3-methyliminopentan-2-one (PubChem CID 123465200) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-amino-3-methyliminopentan-2-one.

Molecular Properties

Compound Name4-amino-3-methyliminopentan-2-one
PubChem CID123465200
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-amino-3-methyliminopentan-2-one
SMILESC/N=C(\C(C)=O)C(C)N
InChIInChI=1S/C6H12N2O/c1-4(7)6(8-3)5(2)9/h4H,7H2,1-3H3/b8-6-
InChIKeyUVQGDWQNXDJGFB-VURMDHGXSA-N
XLogP-0.01
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(2-Aminoethyl)imino]pentan-2-one
CID 15433381
3-(2-Aminoethylimino)butan-2-one
CID 91261761
4-(3-Aminopropylimino)pentan-2-one
CID 91484277
4-Amino-3-iminobutan-2-one
CID 57311270
1-(Methylamino)-4-methyliminopentan-3-one
CID 88688170
5-(Aminomethyl)-2,3-dihydropyrrol-4-one
CID 90851823
3-Amino-2-methyliminobutanamide
CID 123225524
4-Amino-3-iminopentan-2-one
CID 123839236
5-Amino-4-iminohex-1-yn-3-one
CID 123985950
3-Imino-4-methyliminopentan-2-one
CID 141881696
4-(2-Aminoethylimino)pentan-2-one;ethane
CID 144821709
1-Amino-2-iminopentan-3-one
CID 156063354

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyliminopentan-2-one?
The IUPAC name of 4-amino-3-methyliminopentan-2-one (CID 123465200) is 4-amino-3-methyliminopentan-2-one.
What is the SMILES notation for 4-amino-3-methyliminopentan-2-one?
The canonical SMILES for 4-amino-3-methyliminopentan-2-one is C/N=C(\C(C)=O)C(C)N.
What is the InChIKey of 4-amino-3-methyliminopentan-2-one?
The InChIKey is UVQGDWQNXDJGFB-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(7)6(8-3)5(2)9/h4H,7H2,1-3H3/b8-6-.
What are the key properties of 4-amino-3-methyliminopentan-2-one?
4-amino-3-methyliminopentan-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyliminopentan-2-one is sourced from PubChem (CID 123465200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).