4-(2-aminoethylimino)pentan-2-one;ethane

C9H20N2O — CID 144821709

IUPAC4-(2-aminoethylimino)pentan-2-one;ethane
SMILESCC.CC(=O)C/C(C)=N/CCN
InChIInChI=1S/C7H14N2O.C2H6/c1-6(5-7(2)10)9-4-3-8;1-2/h3-5,8H2,1-2H3;1-2H3/b9-6+;
InChIKeyUUOFQMDBUYOQQY-MLBSPLJJSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds4

About 4-(2-aminoethylimino)pentan-2-one;ethane

4-(2-aminoethylimino)pentan-2-one;ethane (PubChem CID 144821709) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(2-aminoethylimino)pentan-2-one;ethane.

Molecular Properties

Compound Name4-(2-aminoethylimino)pentan-2-one;ethane
PubChem CID144821709
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(2-aminoethylimino)pentan-2-one;ethane
SMILESCC.CC(=O)C/C(C)=N/CCN
InChIInChI=1S/C7H14N2O.C2H6/c1-6(5-7(2)10)9-4-3-8;1-2/h3-5,8H2,1-2H3;1-2H3/b9-6+;
InChIKeyUUOFQMDBUYOQQY-MLBSPLJJSA-N
XLogP1.41
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-Oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 138721
4-[2-(4-Oxopentan-2-ylideneamino)propylimino]pentan-2-one
CID 294413
(4E)-4-[(2-Aminoethyl)imino]pentan-2-one
CID 15433381
3-(2-Aminoethylimino)butan-2-one
CID 91261761
4-[2-(3-Aminopropylamino)ethylimino]pentan-2-one
CID 91233415
4-(3-Aminopropylimino)pentan-2-one
CID 91484277
Methanamine;2-methyliminopentan-3-one
CID 20230031
Copper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 24182967
4-(3-Aminobutan-2-ylimino)-3-methylpentan-2-one
CID 59873197
Cobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 88194660
4-[2-(Methylamino)ethylimino]pentan-2-one
CID 118002001
4-Amino-3-methyliminopentan-2-one
CID 123465200

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylimino)pentan-2-one;ethane?
The IUPAC name of 4-(2-aminoethylimino)pentan-2-one;ethane (CID 144821709) is 4-(2-aminoethylimino)pentan-2-one;ethane.
What is the SMILES notation for 4-(2-aminoethylimino)pentan-2-one;ethane?
The canonical SMILES for 4-(2-aminoethylimino)pentan-2-one;ethane is CC.CC(=O)C/C(C)=N/CCN.
What is the InChIKey of 4-(2-aminoethylimino)pentan-2-one;ethane?
The InChIKey is UUOFQMDBUYOQQY-MLBSPLJJSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-6(5-7(2)10)9-4-3-8;1-2/h3-5,8H2,1-2H3;1-2H3/b9-6+;.
What are the key properties of 4-(2-aminoethylimino)pentan-2-one;ethane?
4-(2-aminoethylimino)pentan-2-one;ethane has a molecular weight of 172.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylimino)pentan-2-one;ethane is sourced from PubChem (CID 144821709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).