1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine

C10H21F3N4 — CID 104888070

IUPAC1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine
SMILESCCCCN/C(=N\CCCCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N4/c1-2-3-7-15-9(17-14)16-8-5-4-6-10(11,12)13/h2-8,14H2,1H3,(H2,15,16,17)
InChIKeyZSYNYBAOLRXWHZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.93
Rot. Bonds7

About 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine

1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine (PubChem CID 104888070) has the molecular formula C10H21F3N4 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine.

Molecular Properties

Compound Name1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine
PubChem CID104888070
Molecular FormulaC10H21F3N4
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine
SMILESCCCCN/C(=N\CCCCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N4/c1-2-3-7-15-9(17-14)16-8-5-4-6-10(11,12)13/h2-8,14H2,1H3,(H2,15,16,17)
InChIKeyZSYNYBAOLRXWHZ-UHFFFAOYSA-N
XLogP1.93
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

1-Amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104882192
1-Amino-3-(2,2-difluoroethyl)-2-methylguanidine
CID 104882385
1-Amino-2-methyl-3-(4,4,4-trifluorobutyl)guanidine
CID 104882410
1-Amino-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 104882412
1-Amino-3-butyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883040
1-Amino-3-propyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883042
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883045
1-Amino-3-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883047
1-Amino-2-butyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885800
1-Amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
1-Amino-2-propyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885803

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine?
The IUPAC name of 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine (CID 104888070) is 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine.
What is the SMILES notation for 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine?
The canonical SMILES for 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine is CCCCN/C(=N\CCCCC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine?
The InChIKey is ZSYNYBAOLRXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4/c1-2-3-7-15-9(17-14)16-8-5-4-6-10(11,12)13/h2-8,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine?
1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine has a molecular weight of 254.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine is sourced from PubChem (CID 104888070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).