2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid

C15H31NO2 — CID 89012096

IUPAC2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid
SMILESCCCCC(C)(C)CCCC(CN(C)C)C(=O)O
InChIInChI=1S/C15H31NO2/c1-6-7-10-15(2,3)11-8-9-13(14(17)18)12-16(4)5/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyXXBLQBGJHLSSHM-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.64
Rot. Bonds10

About 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid

2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid (PubChem CID 89012096) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid
PubChem CID89012096
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid
SMILESCCCCC(C)(C)CCCC(CN(C)C)C(=O)O
InChIInChI=1S/C15H31NO2/c1-6-7-10-15(2,3)11-8-9-13(14(17)18)12-16(4)5/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyXXBLQBGJHLSSHM-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
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CID 158257677
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CID 139605044

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid?
The IUPAC name of 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid (CID 89012096) is 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid is CCCCC(C)(C)CCCC(CN(C)C)C(=O)O.
What is the InChIKey of 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid?
The InChIKey is XXBLQBGJHLSSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-7-10-15(2,3)11-8-9-13(14(17)18)12-16(4)5/h13H,6-12H2,1-5H3,(H,17,18).
What are the key properties of 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid?
2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid is sourced from PubChem (CID 89012096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).