1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine

C8H16F2N4 — CID 131052493

IUPAC1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N4/c1-12-7(14-11)13-6-2-4-8(9,10)5-3-6/h6H,2-5,11H2,1H3,(H2,12,13,14)
InChIKeyZIXHQPOQCBUGQJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.60
Rot. Bonds1

About 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine

1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine (PubChem CID 131052493) has the molecular formula C8H16F2N4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine
PubChem CID131052493
Molecular FormulaC8H16F2N4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N4/c1-12-7(14-11)13-6-2-4-8(9,10)5-3-6/h6H,2-5,11H2,1H3,(H2,12,13,14)
InChIKeyZIXHQPOQCBUGQJ-UHFFFAOYSA-N
XLogP0.60
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine (CID 131052493) is 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine is C/N=C(\NN)NC1CCC(F)(F)CC1.
What is the InChIKey of 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine?
The InChIKey is ZIXHQPOQCBUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N4/c1-12-7(14-11)13-6-2-4-8(9,10)5-3-6/h6H,2-5,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine?
1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine has a molecular weight of 206.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine is sourced from PubChem (CID 131052493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).