1-[5-hydroxypentyl(methyl)amino]propan-2-one

C9H19NO2 — CID 107201025

IUPAC1-[5-hydroxypentyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)CCCCCO
InChIInChI=1S/C9H19NO2/c1-9(12)8-10(2)6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyMGRJCHHISHISTM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds7

About 1-[5-hydroxypentyl(methyl)amino]propan-2-one

1-[5-hydroxypentyl(methyl)amino]propan-2-one (PubChem CID 107201025) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[5-hydroxypentyl(methyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[5-hydroxypentyl(methyl)amino]propan-2-one
PubChem CID107201025
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[5-hydroxypentyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)CCCCCO
InChIInChI=1S/C9H19NO2/c1-9(12)8-10(2)6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyMGRJCHHISHISTM-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
1-[butyl(methyl)amino]propan-2-one
CID 43219631
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
CID 107203875
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201029
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
2-[5-hydroxypentyl(methyl)amino]ethanimidamide
CID 107200220
2-[methyl(tridecyl)amino]acetamide
CID 175737609
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxypentyl(methyl)amino]propan-2-one?
The IUPAC name of 1-[5-hydroxypentyl(methyl)amino]propan-2-one (CID 107201025) is 1-[5-hydroxypentyl(methyl)amino]propan-2-one.
What is the SMILES notation for 1-[5-hydroxypentyl(methyl)amino]propan-2-one?
The canonical SMILES for 1-[5-hydroxypentyl(methyl)amino]propan-2-one is CC(=O)CN(C)CCCCCO.
What is the InChIKey of 1-[5-hydroxypentyl(methyl)amino]propan-2-one?
The InChIKey is MGRJCHHISHISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(12)8-10(2)6-4-3-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 1-[5-hydroxypentyl(methyl)amino]propan-2-one?
1-[5-hydroxypentyl(methyl)amino]propan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxypentyl(methyl)amino]propan-2-one is sourced from PubChem (CID 107201025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).