2-[3-(dimethylamino)propyl]tetradecanoic acid

C19H39NO2 — CID 174886479

IUPAC2-[3-(dimethylamino)propyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(CCCN(C)C)C(=O)O
InChIInChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18(19(21)22)16-14-17-20(2)3/h18H,4-17H2,1-3H3,(H,21,22)
InChIKeyZPWZZFZIFMOVKB-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.34
Rot. Bonds16

About 2-[3-(dimethylamino)propyl]tetradecanoic acid

2-[3-(dimethylamino)propyl]tetradecanoic acid (PubChem CID 174886479) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]tetradecanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]tetradecanoic acid
PubChem CID174886479
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name2-[3-(dimethylamino)propyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(CCCN(C)C)C(=O)O
InChIInChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18(19(21)22)16-14-17-20(2)3/h18H,4-17H2,1-3H3,(H,21,22)
InChIKeyZPWZZFZIFMOVKB-UHFFFAOYSA-N
XLogP5.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.34
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

2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
2-decyl-16-[decyl(methyl)amino]hexadecanoic acid
CID 87389190

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]tetradecanoic acid?
The IUPAC name of 2-[3-(dimethylamino)propyl]tetradecanoic acid (CID 174886479) is 2-[3-(dimethylamino)propyl]tetradecanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]tetradecanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)propyl]tetradecanoic acid is CCCCCCCCCCCCC(CCCN(C)C)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]tetradecanoic acid?
The InChIKey is ZPWZZFZIFMOVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18(19(21)22)16-14-17-20(2)3/h18H,4-17H2,1-3H3,(H,21,22).
What are the key properties of 2-[3-(dimethylamino)propyl]tetradecanoic acid?
2-[3-(dimethylamino)propyl]tetradecanoic acid has a molecular weight of 313.53 g/mol, XLogP of 5.34, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]tetradecanoic acid is sourced from PubChem (CID 174886479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).