1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C14H27F3IN3 — CID 109472766

IUPAC1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)NCC(C)(C)C1CCCC1.I
InChIInChI=1S/C14H26F3N3.HI/c1-13(2,11-6-4-5-7-11)10-20-12(18-3)19-9-8-14(15,16)17;/h11H,4-10H2,1-3H3,(H2,18,19,20);1H
InChIKeyXUZJHOUKBLQZNU-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide

1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 109472766) has the molecular formula C14H27F3IN3 and a molecular weight of 421.29 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID109472766
Molecular FormulaC14H27F3IN3
Molecular Weight421.29 g/mol
Exact Mass421.12
IUPAC Name1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)NCC(C)(C)C1CCCC1.I
InChIInChI=1S/C14H26F3N3.HI/c1-13(2,11-6-4-5-7-11)10-20-12(18-3)19-9-8-14(15,16)17;/h11H,4-10H2,1-3H3,(H2,18,19,20);1H
InChIKeyXUZJHOUKBLQZNU-UHFFFAOYSA-N
XLogP3.94
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419
2-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
2-methyl-1-(2-piperidin-1-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778955
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111985509
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
2-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471114
1-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473310
1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104882192
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111987232
tert-butyl N-[4-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]cyclohexyl]carbamate
CID 111994437
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111990445
1-(3,5-dimethylcyclohexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111997032

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 109472766) is 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is C/N=C(\NCCC(F)(F)F)NCC(C)(C)C1CCCC1.I.
What is the InChIKey of 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is XUZJHOUKBLQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3.HI/c1-13(2,11-6-4-5-7-11)10-20-12(18-3)19-9-8-14(15,16)17;/h11H,4-10H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 421.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-methylpropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 109472766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).