1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine

C10H19F3N4 — CID 104888054

IUPAC1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESNN/C(=N\CCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H19F3N4/c11-10(12,13)6-3-7-15-9(17-14)16-8-4-1-2-5-8/h8H,1-7,14H2,(H2,15,16,17)
InChIKeyBUPLMHSPVFNGHL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.68
Rot. Bonds4

About 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine

1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine (PubChem CID 104888054) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
PubChem CID104888054
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESNN/C(=N\CCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H19F3N4/c11-10(12,13)6-3-7-15-9(17-14)16-8-4-1-2-5-8/h8H,1-7,14H2,(H2,15,16,17)
InChIKeyBUPLMHSPVFNGHL-UHFFFAOYSA-N
XLogP1.68
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.68
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-(5,5,5-trifluoropentyl)guanidine
CID 104882412
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883045
3-Amino-2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884161
3-Amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884437
1-Amino-2-butyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885800
1-Amino-3-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885805
1-Amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886398
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788
1-Amino-3-cyclopentyl-2-(2,2-difluoroethyl)guanidine
CID 104887790
1-Amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-Amino-2-propyl-3-(4,4,4-trifluorobutyl)guanidine
CID 104888052

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine (CID 104888054) is 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine is NN/C(=N\CCCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is BUPLMHSPVFNGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c11-10(12,13)6-3-7-15-9(17-14)16-8-4-1-2-5-8/h8H,1-7,14H2,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 252.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 104888054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).