14-(diethylamino)-2-methylidenetetradecanoic acid

C19H37NO2 — CID 54053311

IUPAC14-(diethylamino)-2-methylidenetetradecanoic acid
SMILESC=C(CCCCCCCCCCCCN(CC)CC)C(=O)O
InChIInChI=1S/C19H37NO2/c1-4-20(5-2)17-15-13-11-9-7-6-8-10-12-14-16-18(3)19(21)22/h3-17H2,1-2H3,(H,21,22)
InChIKeyLUMCSCOPRPAMMZ-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.26
Rot. Bonds16

About 14-(diethylamino)-2-methylidenetetradecanoic acid

14-(diethylamino)-2-methylidenetetradecanoic acid (PubChem CID 54053311) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 14-(diethylamino)-2-methylidenetetradecanoic acid.

Molecular Properties

Compound Name14-(diethylamino)-2-methylidenetetradecanoic acid
PubChem CID54053311
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name14-(diethylamino)-2-methylidenetetradecanoic acid
SMILESC=C(CCCCCCCCCCCCN(CC)CC)C(=O)O
InChIInChI=1S/C19H37NO2/c1-4-20(5-2)17-15-13-11-9-7-6-8-10-12-14-16-18(3)19(21)22/h3-17H2,1-2H3,(H,21,22)
InChIKeyLUMCSCOPRPAMMZ-UHFFFAOYSA-N
XLogP5.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
5-(dioctylamino)-2-methylidenepentanoic acid
CID 22725816
4-(dihexylamino)-2-methylidenebutanoic acid
CID 54357423
2,11-dimethylidenedodecanedioic acid
CID 20542368
7-(diethylamino)heptanoyl chloride
CID 58258251
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
ethane;2-methylidenehexanoic acid
CID 162072915
2-[(diheptylamino)methyl]prop-2-enoic acid
CID 87504555
2-methylidenehexanoic acid;zinc
CID 174824467
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
(Z)-18-(diethylamino)octadec-9-enoic acid
CID 87447290
2-methylidene-7-oxooctanoic acid
CID 87625234

Frequently Asked Questions

What is the IUPAC name of 14-(diethylamino)-2-methylidenetetradecanoic acid?
The IUPAC name of 14-(diethylamino)-2-methylidenetetradecanoic acid (CID 54053311) is 14-(diethylamino)-2-methylidenetetradecanoic acid.
What is the SMILES notation for 14-(diethylamino)-2-methylidenetetradecanoic acid?
The canonical SMILES for 14-(diethylamino)-2-methylidenetetradecanoic acid is C=C(CCCCCCCCCCCCN(CC)CC)C(=O)O.
What is the InChIKey of 14-(diethylamino)-2-methylidenetetradecanoic acid?
The InChIKey is LUMCSCOPRPAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-4-20(5-2)17-15-13-11-9-7-6-8-10-12-14-16-18(3)19(21)22/h3-17H2,1-2H3,(H,21,22).
What are the key properties of 14-(diethylamino)-2-methylidenetetradecanoic acid?
14-(diethylamino)-2-methylidenetetradecanoic acid has a molecular weight of 311.51 g/mol, XLogP of 5.26, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(diethylamino)-2-methylidenetetradecanoic acid is sourced from PubChem (CID 54053311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).