4-aminopentan-2-one;methane

C7H19NO — CID 159441866

IUPAC4-aminopentan-2-one;methane
SMILESC.C.CC(=O)CC(C)N
InChIInChI=1S/C5H11NO.2CH4/c1-4(6)3-5(2)7;;/h4H,3,6H2,1-2H3;2*1H4
InChIKeyLSGRVMPUOXOZOZ-UHFFFAOYSA-N
MW133.24 g/mol
LogP1.58
Rot. Bonds2

About 4-aminopentan-2-one;methane

4-aminopentan-2-one;methane (PubChem CID 159441866) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is 4-aminopentan-2-one;methane.

Molecular Properties

Compound Name4-aminopentan-2-one;methane
PubChem CID159441866
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC Name4-aminopentan-2-one;methane
SMILESC.C.CC(=O)CC(C)N
InChIInChI=1S/C5H11NO.2CH4/c1-4(6)3-5(2)7;;/h4H,3,6H2,1-2H3;2*1H4
InChIKeyLSGRVMPUOXOZOZ-UHFFFAOYSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-Aminohexan-3-one
CID 24973513
4-Aminohexan-3-one
CID 53877914
5-Aminohexan-3-one
CID 59732846
(4R)-4-amino-1,1,1-trifluoropentan-2-one
CID 93511704
4-Amino-5,5,5-trifluoropentan-2-one
CID 129269991
4-Amino-5,5-difluoropentan-2-one
CID 163448252
(4S)-4-(methylamino)pentan-2-one
CID 93497476

Frequently Asked Questions

What is the IUPAC name of 4-aminopentan-2-one;methane?
The IUPAC name of 4-aminopentan-2-one;methane (CID 159441866) 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.C.CC(=O)CC(C)N.
What is the InChIKey of 4-aminopentan-2-one;methane?
The InChIKey is LSGRVMPUOXOZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.2CH4/c1-4(6)3-5(2)7;;/h4H,3,6H2,1-2H3;2*1H4.
What are the key properties of 4-aminopentan-2-one;methane?
4-aminopentan-2-one;methane has a molecular weight of 133.24 g/mol, XLogP of 1.58, 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 159441866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).