methanamine;1-phenylpentan-3-one

C12H19NO — CID 167492251

IUPACmethanamine;1-phenylpentan-3-one
SMILESCCC(=O)CCc1ccccc1.CN
InChIInChI=1S/C11H14O.CH5N/c1-2-11(12)9-8-10-6-4-3-5-7-10;1-2/h3-7H,2,8-9H2,1H3;2H2,1H3
InChIKeyUZEVEBLLXXAZED-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.17
Rot. Bonds4

About methanamine;1-phenylpentan-3-one

methanamine;1-phenylpentan-3-one (PubChem CID 167492251) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is methanamine;1-phenylpentan-3-one.

Molecular Properties

Compound Namemethanamine;1-phenylpentan-3-one
PubChem CID167492251
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namemethanamine;1-phenylpentan-3-one
SMILESCCC(=O)CCc1ccccc1.CN
InChIInChI=1S/C11H14O.CH5N/c1-2-11(12)9-8-10-6-4-3-5-7-10;1-2/h3-7H,2,8-9H2,1H3;2H2,1H3
InChIKeyUZEVEBLLXXAZED-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methanamine;1-phenylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylphenyl)pentan-3-one
CID 58444061
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
1-phenylnonane-3,5-dione
CID 14763643
4-methylidene-6-phenylhexan-3-one
CID 13485260
propanoyl 3-phenylpropanoate
CID 19437711
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
5-fluoro-1-phenylheptan-3-one
CID 134845186
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
carbonic acid;3-phenylpropanamide
CID 174965682
5-methyl-1-phenyloctan-3-one
CID 62622474
1-(4-ethenylphenyl)pentan-3-one
CID 20804902

Frequently Asked Questions

What is the IUPAC name of methanamine;1-phenylpentan-3-one?
The IUPAC name of methanamine;1-phenylpentan-3-one (CID 167492251) is methanamine;1-phenylpentan-3-one.
What is the SMILES notation for methanamine;1-phenylpentan-3-one?
The canonical SMILES for methanamine;1-phenylpentan-3-one is CCC(=O)CCc1ccccc1.CN.
What is the InChIKey of methanamine;1-phenylpentan-3-one?
The InChIKey is UZEVEBLLXXAZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.CH5N/c1-2-11(12)9-8-10-6-4-3-5-7-10;1-2/h3-7H,2,8-9H2,1H3;2H2,1H3.
What are the key properties of methanamine;1-phenylpentan-3-one?
methanamine;1-phenylpentan-3-one has a molecular weight of 193.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-phenylpentan-3-one is sourced from PubChem (CID 167492251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).