2-(6-oxohenicosyl)guanidine

C22H45N3O — CID 163454706

IUPAC2-(6-oxohenicosyl)guanidine
SMILESCCCCCCCCCCCCCCCC(=O)CCCCCN=C(N)N
InChIInChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(26)19-16-14-17-20-25-22(23)24/h2-20H2,1H3,(H4,23,24,25)
InChIKeyBJLUDKBJJJFNQP-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.87
Rot. Bonds20

About 2-(6-oxohenicosyl)guanidine

2-(6-oxohenicosyl)guanidine (PubChem CID 163454706) has the molecular formula C22H45N3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-(6-oxohenicosyl)guanidine.

Molecular Properties

Compound Name2-(6-oxohenicosyl)guanidine
PubChem CID163454706
Molecular FormulaC22H45N3O
Molecular Weight367.62 g/mol
Exact Mass367.36
IUPAC Name2-(6-oxohenicosyl)guanidine
SMILESCCCCCCCCCCCCCCCC(=O)CCCCCN=C(N)N
InChIInChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(26)19-16-14-17-20-25-22(23)24/h2-20H2,1H3,(H4,23,24,25)
InChIKeyBJLUDKBJJJFNQP-UHFFFAOYSA-N
XLogP5.87
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.87
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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Related Compounds

oxalic acid;2-tetradecylguanidine
CID 88685065
2-(5-oxoheptyl)guanidine
CID 89070451
2-butylguanidine;octadecanoic acid
CID 158758420
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
CID 11949663
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
4-oxotetradecanamide
CID 176888940
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxohenicosyl)guanidine?
The IUPAC name of 2-(6-oxohenicosyl)guanidine (CID 163454706) is 2-(6-oxohenicosyl)guanidine.
What is the SMILES notation for 2-(6-oxohenicosyl)guanidine?
The canonical SMILES for 2-(6-oxohenicosyl)guanidine is CCCCCCCCCCCCCCCC(=O)CCCCCN=C(N)N.
What is the InChIKey of 2-(6-oxohenicosyl)guanidine?
The InChIKey is BJLUDKBJJJFNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(26)19-16-14-17-20-25-22(23)24/h2-20H2,1H3,(H4,23,24,25).
What are the key properties of 2-(6-oxohenicosyl)guanidine?
2-(6-oxohenicosyl)guanidine has a molecular weight of 367.62 g/mol, XLogP of 5.87, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxohenicosyl)guanidine is sourced from PubChem (CID 163454706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).