2-(15-oxohexadecyl)guanidine

C17H35N3O — CID 23165356

IUPAC2-(15-oxohexadecyl)guanidine
SMILESCC(=O)CCCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C17H35N3O/c1-16(21)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-17(18)19/h2-15H2,1H3,(H4,18,19,20)
InChIKeySAGPCBAKEKXJAN-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.92
Rot. Bonds15

About 2-(15-oxohexadecyl)guanidine

2-(15-oxohexadecyl)guanidine (PubChem CID 23165356) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-(15-oxohexadecyl)guanidine.

Molecular Properties

Compound Name2-(15-oxohexadecyl)guanidine
PubChem CID23165356
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-(15-oxohexadecyl)guanidine
SMILESCC(=O)CCCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C17H35N3O/c1-16(21)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-17(18)19/h2-15H2,1H3,(H4,18,19,20)
InChIKeySAGPCBAKEKXJAN-UHFFFAOYSA-N
XLogP3.92
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(15-oxohexadecyl)guanidine?
The IUPAC name of 2-(15-oxohexadecyl)guanidine (CID 23165356) is 2-(15-oxohexadecyl)guanidine.
What is the SMILES notation for 2-(15-oxohexadecyl)guanidine?
The canonical SMILES for 2-(15-oxohexadecyl)guanidine is CC(=O)CCCCCCCCCCCCCCN=C(N)N.
What is the InChIKey of 2-(15-oxohexadecyl)guanidine?
The InChIKey is SAGPCBAKEKXJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-16(21)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-17(18)19/h2-15H2,1H3,(H4,18,19,20).
What are the key properties of 2-(15-oxohexadecyl)guanidine?
2-(15-oxohexadecyl)guanidine has a molecular weight of 297.49 g/mol, XLogP of 3.92, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-oxohexadecyl)guanidine is sourced from PubChem (CID 23165356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).