2-tetradecyliminoacetic acid

C16H31NO2 — CID 88692071

IUPAC2-tetradecyliminoacetic acid
SMILESCCCCCCCCCCCCCC/N=C/C(=O)O
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18)19/h15H,2-14H2,1H3,(H,18,19)/b17-15+
InChIKeyQSDQRFDSGYDFGR-BMRADRMJSA-N
MW269.43 g/mol
LogP4.84
Rot. Bonds14

About 2-tetradecyliminoacetic acid

2-tetradecyliminoacetic acid (PubChem CID 88692071) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-tetradecyliminoacetic acid.

Molecular Properties

Compound Name2-tetradecyliminoacetic acid
PubChem CID88692071
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-tetradecyliminoacetic acid
SMILESCCCCCCCCCCCCCC/N=C/C(=O)O
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18)19/h15H,2-14H2,1H3,(H,18,19)/b17-15+
InChIKeyQSDQRFDSGYDFGR-BMRADRMJSA-N
XLogP4.84
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
but-2-enedioic acid;undecane
CID 157202832
sodium;hydride;3-nonyliminopropanoic acid;propanoic acid
CID 174050378
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
5-hexylimino-2-methylpent-2-enoic acid
CID 175013194
but-2-enoic acid;tetracosane
CID 159276528
acetic acid;nonane
CID 174272180
acetic acid;decane
CID 172853582
icosane;oxalic acid
CID 175691290
2-dodecyliminopropanedioic acid
CID 10290398
carbonic acid;bis(hexane)
CID 173367789

Frequently Asked Questions

What is the IUPAC name of 2-tetradecyliminoacetic acid?
The IUPAC name of 2-tetradecyliminoacetic acid (CID 88692071) is 2-tetradecyliminoacetic acid.
What is the SMILES notation for 2-tetradecyliminoacetic acid?
The canonical SMILES for 2-tetradecyliminoacetic acid is CCCCCCCCCCCCCC/N=C/C(=O)O.
What is the InChIKey of 2-tetradecyliminoacetic acid?
The InChIKey is QSDQRFDSGYDFGR-BMRADRMJSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18)19/h15H,2-14H2,1H3,(H,18,19)/b17-15+.
What are the key properties of 2-tetradecyliminoacetic acid?
2-tetradecyliminoacetic acid has a molecular weight of 269.43 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyliminoacetic acid is sourced from PubChem (CID 88692071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).