propanoic acid;tetradecan-2-amine

C17H37NO2 — CID 173174901

IUPACpropanoic acid;tetradecan-2-amine
SMILESCCC(=O)O.CCCCCCCCCCCCC(C)N
InChIInChI=1S/C14H31N.C3H6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;1-2-3(4)5/h14H,3-13,15H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyPAKYIBWWVNKBMC-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.13
Rot. Bonds12

About propanoic acid;tetradecan-2-amine

propanoic acid;tetradecan-2-amine (PubChem CID 173174901) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is propanoic acid;tetradecan-2-amine.

Molecular Properties

Compound Namepropanoic acid;tetradecan-2-amine
PubChem CID173174901
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Namepropanoic acid;tetradecan-2-amine
SMILESCCC(=O)O.CCCCCCCCCCCCC(C)N
InChIInChI=1S/C14H31N.C3H6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;1-2-3(4)5/h14H,3-13,15H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyPAKYIBWWVNKBMC-UHFFFAOYSA-N
XLogP5.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;undecan-2-amine
CID 175209089
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
sodium;heptane-1,2-diamine;hydride;propanoic acid
CID 175479075
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
bis(hexan-2-amine);oxalic acid
CID 175216358
nonadecane-2,14-diamine
CID 89095951
bis(hexan-2-amine);hexanedioic acid
CID 174667104
decane;propanoic acid
CID 158826686

Frequently Asked Questions

What is the IUPAC name of propanoic acid;tetradecan-2-amine?
The IUPAC name of propanoic acid;tetradecan-2-amine (CID 173174901) is propanoic acid;tetradecan-2-amine.
What is the SMILES notation for propanoic acid;tetradecan-2-amine?
The canonical SMILES for propanoic acid;tetradecan-2-amine is CCC(=O)O.CCCCCCCCCCCCC(C)N.
What is the InChIKey of propanoic acid;tetradecan-2-amine?
The InChIKey is PAKYIBWWVNKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C3H6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;1-2-3(4)5/h14H,3-13,15H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;tetradecan-2-amine?
propanoic acid;tetradecan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.13, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;tetradecan-2-amine is sourced from PubChem (CID 173174901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).