2-(dimethylamino)pentanoic acid;dodecan-1-amine

C19H42N2O2 — CID 172752605

IUPAC2-(dimethylamino)pentanoic acid;dodecan-1-amine
SMILESCCCC(C(=O)O)N(C)C.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.C7H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4-5-6(7(9)10)8(2)3/h2-13H2,1H3;6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKONQTABFHWOBOD-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.67
Rot. Bonds14

About 2-(dimethylamino)pentanoic acid;dodecan-1-amine

2-(dimethylamino)pentanoic acid;dodecan-1-amine (PubChem CID 172752605) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-(dimethylamino)pentanoic acid;dodecan-1-amine.

Molecular Properties

Compound Name2-(dimethylamino)pentanoic acid;dodecan-1-amine
PubChem CID172752605
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Name2-(dimethylamino)pentanoic acid;dodecan-1-amine
SMILESCCCC(C(=O)O)N(C)C.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.C7H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4-5-6(7(9)10)8(2)3/h2-13H2,1H3;6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKONQTABFHWOBOD-UHFFFAOYSA-N
XLogP4.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
decan-1-amine;2-hydroxypropanoic acid
CID 88700123
2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate
CID 87330728
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
carbamic acid;hexan-1-amine
CID 158177123

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pentanoic acid;dodecan-1-amine?
The IUPAC name of 2-(dimethylamino)pentanoic acid;dodecan-1-amine (CID 172752605) is 2-(dimethylamino)pentanoic acid;dodecan-1-amine.
What is the SMILES notation for 2-(dimethylamino)pentanoic acid;dodecan-1-amine?
The canonical SMILES for 2-(dimethylamino)pentanoic acid;dodecan-1-amine is CCCC(C(=O)O)N(C)C.CCCCCCCCCCCCN.
What is the InChIKey of 2-(dimethylamino)pentanoic acid;dodecan-1-amine?
The InChIKey is KONQTABFHWOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C7H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4-5-6(7(9)10)8(2)3/h2-13H2,1H3;6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-(dimethylamino)pentanoic acid;dodecan-1-amine?
2-(dimethylamino)pentanoic acid;dodecan-1-amine has a molecular weight of 330.56 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pentanoic acid;dodecan-1-amine is sourced from PubChem (CID 172752605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).