1,1-didodecylguanidine

C25H53N3 — CID 23103902

IUPAC1,1-didodecylguanidine
SMILES[H]/N=C(\N)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C25H53N3/c1-3-5-7-9-11-13-15-17-19-21-23-28(25(26)27)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H3,26,27)
InChIKeyFALXJMPKWKPRJD-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.02
Rot. Bonds22

About 1,1-didodecylguanidine

1,1-didodecylguanidine (PubChem CID 23103902) has the molecular formula C25H53N3 and a molecular weight of 395.72 g/mol. Its IUPAC name is 1,1-didodecylguanidine.

Molecular Properties

Compound Name1,1-didodecylguanidine
PubChem CID23103902
Molecular FormulaC25H53N3
Molecular Weight395.72 g/mol
Exact Mass395.42
IUPAC Name1,1-didodecylguanidine
SMILES[H]/N=C(\N)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C25H53N3/c1-3-5-7-9-11-13-15-17-19-21-23-28(25(26)27)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H3,26,27)
InChIKeyFALXJMPKWKPRJD-UHFFFAOYSA-N
XLogP8.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1,1-Bis(8-guanidinooctyl)guanidine
CID 14030740
1-(8-Aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine
CID 139596237
1,1-Bis(8-aminooctyl)guanidine
CID 139596653
1,1-Dioctadecylguanidine
CID 20435807
1,1-Dipentylguanidine
CID 21218368
Guanidine, N,N,N',N'-tetrabutyl-
CID 3025802
1-(7-Guanidinoheptyl)-1-(9-guanidinononyl)guanidine
CID 49771414
1,1-Bis(8-carbamimidamidooctyl)guanidine
CID 176524141
1-Butyl-1-hexylguanidine
CID 19006608
1,1-Bis(11-methyldodecyl)guanidine
CID 19826644
1,1-Bis(2-ethylhexyl)guanidine
CID 20070093
1,1-Di(tridecyl)guanidine
CID 20070094

Frequently Asked Questions

What is the IUPAC name of 1,1-didodecylguanidine?
The IUPAC name of 1,1-didodecylguanidine (CID 23103902) is 1,1-didodecylguanidine.
What is the SMILES notation for 1,1-didodecylguanidine?
The canonical SMILES for 1,1-didodecylguanidine is [H]/N=C(\N)N(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1,1-didodecylguanidine?
The InChIKey is FALXJMPKWKPRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3/c1-3-5-7-9-11-13-15-17-19-21-23-28(25(26)27)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H3,26,27).
What are the key properties of 1,1-didodecylguanidine?
1,1-didodecylguanidine has a molecular weight of 395.72 g/mol, XLogP of 8.02, 22 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-didodecylguanidine is sourced from PubChem (CID 23103902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).