4-aminopentan-2-one;methane

C6H15NO — CID 160631954

IUPAC4-aminopentan-2-one;methane
SMILESC.CC(=O)CC(C)N
InChIInChI=1S/C5H11NO.CH4/c1-4(6)3-5(2)7;/h4H,3,6H2,1-2H3;1H4
InChIKeyRIAKWBMEWLZRBW-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.95
Rot. Bonds2

About 4-aminopentan-2-one;methane

4-aminopentan-2-one;methane (PubChem CID 160631954) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-aminopentan-2-one;methane.

Molecular Properties

Compound Name4-aminopentan-2-one;methane
PubChem CID160631954
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-aminopentan-2-one;methane
SMILESC.CC(=O)CC(C)N
InChIInChI=1S/C5H11NO.CH4/c1-4(6)3-5(2)7;/h4H,3,6H2,1-2H3;1H4
InChIKeyRIAKWBMEWLZRBW-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Aminocyclobutan-1-one hydrochloride
CID 46942194
1-Aminopentan-3-one hydrochloride
CID 84750972
5-Aminopentan-2-one
CID 13593306
4-Aminobutan-2-one
CID 15565026
1-Aminohexan-3-one hydrochloride
CID 165881854
(4R)-4-aminopentan-2-one
CID 25113135
2-Amino-3-pentanone
CID 10986165
3-Aminopentan-2-one
CID 12446998
3-Aminopentan-2-one--hydrogen chloride (1/1)
CID 12446999
3-Aminohexan-2-one
CID 20613280
1-Acetylethylenediamine
CID 21226596
1-Aminohexan-3-one
CID 24973513

Frequently Asked Questions

What is the IUPAC name of 4-aminopentan-2-one;methane?
The IUPAC name of 4-aminopentan-2-one;methane (CID 160631954) is 4-aminopentan-2-one;methane.
What is the SMILES notation for 4-aminopentan-2-one;methane?
The canonical SMILES for 4-aminopentan-2-one;methane is C.CC(=O)CC(C)N.
What is the InChIKey of 4-aminopentan-2-one;methane?
The InChIKey is RIAKWBMEWLZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4/c1-4(6)3-5(2)7;/h4H,3,6H2,1-2H3;1H4.
What are the key properties of 4-aminopentan-2-one;methane?
4-aminopentan-2-one;methane has a molecular weight of 117.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentan-2-one;methane is sourced from PubChem (CID 160631954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).