oxalic acid;2-tetradecylguanidine

C17H35N3O4 — CID 88685065

IUPACoxalic acid;2-tetradecylguanidine
SMILESCCCCCCCCCCCCCCN=C(N)N.O=C(O)C(=O)O
InChIInChI=1S/C15H33N3.C2H2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;3-1(4)2(5)6/h2-14H2,1H3,(H4,16,17,18);(H,3,4)(H,5,6)
InChIKeyZPWNFDZEFIZYEU-UHFFFAOYSA-N
MW345.48 g/mol
LogP3.12
Rot. Bonds13

About oxalic acid;2-tetradecylguanidine

oxalic acid;2-tetradecylguanidine (PubChem CID 88685065) has the molecular formula C17H35N3O4 and a molecular weight of 345.48 g/mol. Its IUPAC name is oxalic acid;2-tetradecylguanidine.

Molecular Properties

Compound Nameoxalic acid;2-tetradecylguanidine
PubChem CID88685065
Molecular FormulaC17H35N3O4
Molecular Weight345.48 g/mol
Exact Mass345.26
IUPAC Nameoxalic acid;2-tetradecylguanidine
SMILESCCCCCCCCCCCCCCN=C(N)N.O=C(O)C(=O)O
InChIInChI=1S/C15H33N3.C2H2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;3-1(4)2(5)6/h2-14H2,1H3,(H4,16,17,18);(H,3,4)(H,5,6)
InChIKeyZPWNFDZEFIZYEU-UHFFFAOYSA-N
XLogP3.12
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 163454706
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CID 158758420
2-dodecyliminopropanedioic acid
CID 10290398
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
CID 11949663
icosane;oxalic acid
CID 175691290
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030
5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
CID 19382481
(N'-hexylcarbamimidoyl)urea
CID 87601330
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-tetradecylguanidine?
The IUPAC name of oxalic acid;2-tetradecylguanidine (CID 88685065) is oxalic acid;2-tetradecylguanidine.
What is the SMILES notation for oxalic acid;2-tetradecylguanidine?
The canonical SMILES for oxalic acid;2-tetradecylguanidine is CCCCCCCCCCCCCCN=C(N)N.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-tetradecylguanidine?
The InChIKey is ZPWNFDZEFIZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3.C2H2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;3-1(4)2(5)6/h2-14H2,1H3,(H4,16,17,18);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-tetradecylguanidine?
oxalic acid;2-tetradecylguanidine has a molecular weight of 345.48 g/mol, XLogP of 3.12, 13 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-tetradecylguanidine is sourced from PubChem (CID 88685065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).