3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine

C12H21F3N4 — CID 104884458

IUPAC3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESNN/C(=N\C1CCCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)8-19(10-6-7-10)11(18-16)17-9-4-2-1-3-5-9/h9-10H,1-8,16H2,(H,17,18)
InChIKeyMZGGKXSKYDNAMH-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.17
Rot. Bonds3

About 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884458) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884458
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESNN/C(=N\C1CCCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)8-19(10-6-7-10)11(18-16)17-9-4-2-1-3-5-9/h9-10H,1-8,16H2,(H,17,18)
InChIKeyMZGGKXSKYDNAMH-UHFFFAOYSA-N
XLogP2.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-Cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362298
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
3-Amino-2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-2-cyclopropyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884430
3-Amino-2-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884454
3-Amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884456
3-Amino-1-cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884457
3-Amino-1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884460
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
3-Amino-2-cyclopropyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884483
N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885931
3-Amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884458) is 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is NN/C(=N\C1CCCCC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is MZGGKXSKYDNAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c13-12(14,15)8-19(10-6-7-10)11(18-16)17-9-4-2-1-3-5-9/h9-10H,1-8,16H2,(H,17,18).
What are the key properties of 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 278.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).