2-(2-decyltetradecyl)guanidine

C25H53N3 — CID 88879989

IUPAC2-(2-decyltetradecyl)guanidine
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CN=C(N)N
InChIInChI=1S/C25H53N3/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-25(26)27)21-19-17-15-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H4,26,27,28)
InChIKeyWJSZXGTZOASDFV-UHFFFAOYSA-N
MW395.72 g/mol
LogP7.72
Rot. Bonds22

About 2-(2-decyltetradecyl)guanidine

2-(2-decyltetradecyl)guanidine (PubChem CID 88879989) has the molecular formula C25H53N3 and a molecular weight of 395.72 g/mol. Its IUPAC name is 2-(2-decyltetradecyl)guanidine.

Molecular Properties

Compound Name2-(2-decyltetradecyl)guanidine
PubChem CID88879989
Molecular FormulaC25H53N3
Molecular Weight395.72 g/mol
Exact Mass395.42
IUPAC Name2-(2-decyltetradecyl)guanidine
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CN=C(N)N
InChIInChI=1S/C25H53N3/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-25(26)27)21-19-17-15-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H4,26,27,28)
InChIKeyWJSZXGTZOASDFV-UHFFFAOYSA-N
XLogP7.72
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 57.72
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

2-(2-octyldodecyl)guanidine
CID 139725194
2-(2-propylpentyl)guanidine
CID 174332322
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
2-[(diaminomethylideneamino)methyl]tridecanoic acid
CID 87851265
2-[(diaminomethylideneamino)methyl]nonadecanoic acid
CID 87851261
2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine
CID 170092776
2-(4-butyloctyl)guanidine
CID 167172231
2-pentyloctane-1-thiol
CID 170312154
9-(nitrosomethyl)icosane
CID 122613192
7-(nitrosomethyl)pentadecane
CID 54309093
11-pentylheptacosane
CID 91575569
13-pentylpentacosane
CID 91804884

Frequently Asked Questions

What is the IUPAC name of 2-(2-decyltetradecyl)guanidine?
The IUPAC name of 2-(2-decyltetradecyl)guanidine (CID 88879989) is 2-(2-decyltetradecyl)guanidine.
What is the SMILES notation for 2-(2-decyltetradecyl)guanidine?
The canonical SMILES for 2-(2-decyltetradecyl)guanidine is CCCCCCCCCCCCC(CCCCCCCCCC)CN=C(N)N.
What is the InChIKey of 2-(2-decyltetradecyl)guanidine?
The InChIKey is WJSZXGTZOASDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-25(26)27)21-19-17-15-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H4,26,27,28).
What are the key properties of 2-(2-decyltetradecyl)guanidine?
2-(2-decyltetradecyl)guanidine has a molecular weight of 395.72 g/mol, XLogP of 7.72, 22 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decyltetradecyl)guanidine is sourced from PubChem (CID 88879989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).