2-aminopentan-3-one;N-methylpentan-3-imine

C11H24N2O — CID 159010839

IUPAC2-aminopentan-3-one;N-methylpentan-3-imine
SMILESCCC(=O)C(C)N.CCC(CC)=NC
InChIInChI=1S/C6H13N.C5H11NO/c1-4-6(5-2)7-3;1-3-5(7)4(2)6/h4-5H2,1-3H3;4H,3,6H2,1-2H3
InChIKeyJSLURYXHGRBUJQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.19
Rot. Bonds4

About 2-aminopentan-3-one;N-methylpentan-3-imine

2-aminopentan-3-one;N-methylpentan-3-imine (PubChem CID 159010839) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-aminopentan-3-one;N-methylpentan-3-imine.

Molecular Properties

Compound Name2-aminopentan-3-one;N-methylpentan-3-imine
PubChem CID159010839
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-aminopentan-3-one;N-methylpentan-3-imine
SMILESCCC(=O)C(C)N.CCC(CC)=NC
InChIInChI=1S/C6H13N.C5H11NO/c1-4-6(5-2)7-3;1-3-5(7)4(2)6/h4-5H2,1-3H3;4H,3,6H2,1-2H3
InChIKeyJSLURYXHGRBUJQ-UHFFFAOYSA-N
XLogP2.19
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.19
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-(3-Aminopropylimino)pentan-2-one
CID 91484277
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3-Amino-6-(propan-2-ylideneamino)hexan-2-one
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4-Amino-3-methyliminopentan-2-one
CID 123465200
3-Amino-6-ethylimino-5-iminohexan-2-one
CID 123531158
N'-(3-amino-2-oxobutyl)pentanimidamide
CID 123935037
3-Amino-4-iminopentan-2-one;ethane;methanamine
CID 143689652
4-(2-Aminoethylimino)pentan-2-one;ethane
CID 144821709
ethanamine;N-ethylpentan-2-imine;pentan-2-one
CID 159085250
3-Aminopentan-2-one;methane;pentan-3-imine
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1-(Pentan-2-ylideneamino)butan-2-one
CID 149520881

Frequently Asked Questions

What is the IUPAC name of 2-aminopentan-3-one;N-methylpentan-3-imine?
The IUPAC name of 2-aminopentan-3-one;N-methylpentan-3-imine (CID 159010839) is 2-aminopentan-3-one;N-methylpentan-3-imine.
What is the SMILES notation for 2-aminopentan-3-one;N-methylpentan-3-imine?
The canonical SMILES for 2-aminopentan-3-one;N-methylpentan-3-imine is CCC(=O)C(C)N.CCC(CC)=NC.
What is the InChIKey of 2-aminopentan-3-one;N-methylpentan-3-imine?
The InChIKey is JSLURYXHGRBUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO/c1-4-6(5-2)7-3;1-3-5(7)4(2)6/h4-5H2,1-3H3;4H,3,6H2,1-2H3.
What are the key properties of 2-aminopentan-3-one;N-methylpentan-3-imine?
2-aminopentan-3-one;N-methylpentan-3-imine has a molecular weight of 200.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentan-3-one;N-methylpentan-3-imine is sourced from PubChem (CID 159010839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).