14-(2-aminoethylamino)tetradecanoic acid

C16H34N2O2 — CID 173203671

IUPAC14-(2-aminoethylamino)tetradecanoic acid
SMILESNCCNCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H34N2O2/c17-13-15-18-14-11-9-7-5-3-1-2-4-6-8-10-12-16(19)20/h18H,1-15,17H2,(H,19,20)
InChIKeyXJUMMLKMHPBRGD-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.30
Rot. Bonds16

About 14-(2-aminoethylamino)tetradecanoic acid

14-(2-aminoethylamino)tetradecanoic acid (PubChem CID 173203671) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 14-(2-aminoethylamino)tetradecanoic acid.

Molecular Properties

Compound Name14-(2-aminoethylamino)tetradecanoic acid
PubChem CID173203671
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name14-(2-aminoethylamino)tetradecanoic acid
SMILESNCCNCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H34N2O2/c17-13-15-18-14-11-9-7-5-3-1-2-4-6-8-10-12-16(19)20/h18H,1-15,17H2,(H,19,20)
InChIKeyXJUMMLKMHPBRGD-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
12-(pentylamino)dodecanoic acid
CID 57245176
6-(2-bromoethylamino)hexanoic acid
CID 102350693
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid
CID 160545758
decanedioic acid;N-hexylhexan-1-amine
CID 88745136

Frequently Asked Questions

What is the IUPAC name of 14-(2-aminoethylamino)tetradecanoic acid?
The IUPAC name of 14-(2-aminoethylamino)tetradecanoic acid (CID 173203671) is 14-(2-aminoethylamino)tetradecanoic acid.
What is the SMILES notation for 14-(2-aminoethylamino)tetradecanoic acid?
The canonical SMILES for 14-(2-aminoethylamino)tetradecanoic acid is NCCNCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-(2-aminoethylamino)tetradecanoic acid?
The InChIKey is XJUMMLKMHPBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c17-13-15-18-14-11-9-7-5-3-1-2-4-6-8-10-12-16(19)20/h18H,1-15,17H2,(H,19,20).
What are the key properties of 14-(2-aminoethylamino)tetradecanoic acid?
14-(2-aminoethylamino)tetradecanoic acid has a molecular weight of 286.46 g/mol, XLogP of 3.30, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-aminoethylamino)tetradecanoic acid is sourced from PubChem (CID 173203671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).