1-hydroxy-1-(13-oxotetradecyl)guanidine

C15H31N3O2 — CID 135039596

IUPAC1-hydroxy-1-(13-oxotetradecyl)guanidine
SMILES[H]/N=C(\N)N(O)CCCCCCCCCCCCC(C)=O
InChIInChI=1S/C15H31N3O2/c1-14(19)12-10-8-6-4-2-3-5-7-9-11-13-18(20)15(16)17/h20H,2-13H2,1H3,(H3,16,17)
InChIKeyUSGFKRVWEXDGNT-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.45
Rot. Bonds13

About 1-hydroxy-1-(13-oxotetradecyl)guanidine

1-hydroxy-1-(13-oxotetradecyl)guanidine (PubChem CID 135039596) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-hydroxy-1-(13-oxotetradecyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-1-(13-oxotetradecyl)guanidine
PubChem CID135039596
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-hydroxy-1-(13-oxotetradecyl)guanidine
SMILES[H]/N=C(\N)N(O)CCCCCCCCCCCCC(C)=O
InChIInChI=1S/C15H31N3O2/c1-14(19)12-10-8-6-4-2-3-5-7-9-11-13-18(20)15(16)17/h20H,2-13H2,1H3,(H3,16,17)
InChIKeyUSGFKRVWEXDGNT-UHFFFAOYSA-N
XLogP3.45
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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acetic acid;1-dodecyl-1-methylguanidine
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2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
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ethyl N-methyl-N-(7-oxooctyl)carbamate
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4-[carbamimidoyl(methyl)amino]butyl acetate
CID 54284937
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
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N-carbamimidoyl-N-carbamoyldodecanamide
CID 154094348

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(13-oxotetradecyl)guanidine?
The IUPAC name of 1-hydroxy-1-(13-oxotetradecyl)guanidine (CID 135039596) is 1-hydroxy-1-(13-oxotetradecyl)guanidine.
What is the SMILES notation for 1-hydroxy-1-(13-oxotetradecyl)guanidine?
The canonical SMILES for 1-hydroxy-1-(13-oxotetradecyl)guanidine is [H]/N=C(\N)N(O)CCCCCCCCCCCCC(C)=O.
What is the InChIKey of 1-hydroxy-1-(13-oxotetradecyl)guanidine?
The InChIKey is USGFKRVWEXDGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-14(19)12-10-8-6-4-2-3-5-7-9-11-13-18(20)15(16)17/h20H,2-13H2,1H3,(H3,16,17).
What are the key properties of 1-hydroxy-1-(13-oxotetradecyl)guanidine?
1-hydroxy-1-(13-oxotetradecyl)guanidine has a molecular weight of 285.43 g/mol, XLogP of 3.45, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(13-oxotetradecyl)guanidine is sourced from PubChem (CID 135039596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).