[methyl(tridecyl)amino] acetate

C16H33NO2 — CID 87650867

IUPAC[methyl(tridecyl)amino] acetate
SMILESCCCCCCCCCCCCCN(C)OC(C)=O
InChIInChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(3)19-16(2)18/h4-15H2,1-3H3
InChIKeyCEEYADXHYYFPDR-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.71
Rot. Bonds13

About [methyl(tridecyl)amino] acetate

[methyl(tridecyl)amino] acetate (PubChem CID 87650867) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is [methyl(tridecyl)amino] acetate.

Molecular Properties

Compound Name[methyl(tridecyl)amino] acetate
PubChem CID87650867
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name[methyl(tridecyl)amino] acetate
SMILESCCCCCCCCCCCCCN(C)OC(C)=O
InChIInChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(3)19-16(2)18/h4-15H2,1-3H3
InChIKeyCEEYADXHYYFPDR-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
N-[heptadecyl(methyl)amino]oxy-N-methylheptadecan-1-amine
CID 141068363
N-decyl-N-methylacetamide
CID 22114742
N-methoxy-N-methylhexan-1-amine
CID 54431715
[dodecyl-(N'-methylcarbamimidoyl)amino] acetate
CID 57015324
ethane;N-methyl-N-octylacetamide
CID 142531459
[2-hydroxyethyl(methyl)amino] octanoate
CID 175189868
ethaneperoxoic acid;octane
CID 87879495
N-acetyl-N-decylacetamide
CID 57029087
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539

Frequently Asked Questions

What is the IUPAC name of [methyl(tridecyl)amino] acetate?
The IUPAC name of [methyl(tridecyl)amino] acetate (CID 87650867) is [methyl(tridecyl)amino] acetate.
What is the SMILES notation for [methyl(tridecyl)amino] acetate?
The canonical SMILES for [methyl(tridecyl)amino] acetate is CCCCCCCCCCCCCN(C)OC(C)=O.
What is the InChIKey of [methyl(tridecyl)amino] acetate?
The InChIKey is CEEYADXHYYFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(3)19-16(2)18/h4-15H2,1-3H3.
What are the key properties of [methyl(tridecyl)amino] acetate?
[methyl(tridecyl)amino] acetate has a molecular weight of 271.44 g/mol, XLogP of 4.71, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(tridecyl)amino] acetate is sourced from PubChem (CID 87650867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).