10-[methyl(pentyl)amino]-10-oxodecanoic acid

C16H31NO3 — CID 143390074

IUPAC10-[methyl(pentyl)amino]-10-oxodecanoic acid
SMILESCCCCCN(C)C(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C16H31NO3/c1-3-4-11-14-17(2)15(18)12-9-7-5-6-8-10-13-16(19)20/h3-14H2,1-2H3,(H,19,20)
InChIKeyMUHHRXCDZCQBAK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.84
Rot. Bonds13

About 10-[methyl(pentyl)amino]-10-oxodecanoic acid

10-[methyl(pentyl)amino]-10-oxodecanoic acid (PubChem CID 143390074) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 10-[methyl(pentyl)amino]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[methyl(pentyl)amino]-10-oxodecanoic acid
PubChem CID143390074
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name10-[methyl(pentyl)amino]-10-oxodecanoic acid
SMILESCCCCCN(C)C(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C16H31NO3/c1-3-4-11-14-17(2)15(18)12-9-7-5-6-8-10-13-16(19)20/h3-14H2,1-2H3,(H,19,20)
InChIKeyMUHHRXCDZCQBAK-UHFFFAOYSA-N
XLogP3.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
6-[butyl(methyl)amino]-6-oxohexanoic acid
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N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
CID 88685642
CID 88685642
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283

Frequently Asked Questions

What is the IUPAC name of 10-[methyl(pentyl)amino]-10-oxodecanoic acid?
The IUPAC name of 10-[methyl(pentyl)amino]-10-oxodecanoic acid (CID 143390074) is 10-[methyl(pentyl)amino]-10-oxodecanoic acid.
What is the SMILES notation for 10-[methyl(pentyl)amino]-10-oxodecanoic acid?
The canonical SMILES for 10-[methyl(pentyl)amino]-10-oxodecanoic acid is CCCCCN(C)C(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-[methyl(pentyl)amino]-10-oxodecanoic acid?
The InChIKey is MUHHRXCDZCQBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-11-14-17(2)15(18)12-9-7-5-6-8-10-13-16(19)20/h3-14H2,1-2H3,(H,19,20).
What are the key properties of 10-[methyl(pentyl)amino]-10-oxodecanoic acid?
10-[methyl(pentyl)amino]-10-oxodecanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.84, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[methyl(pentyl)amino]-10-oxodecanoic acid is sourced from PubChem (CID 143390074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).