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

C11H21F3N4 — CID 104888053

IUPAC1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESNN/C(=N\CCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H21F3N4/c12-11(13,14)7-4-8-16-10(18-15)17-9-5-2-1-3-6-9/h9H,1-8,15H2,(H2,16,17,18)
InChIKeyHDLGOLVCIWBCGD-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.07
Rot. Bonds4

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

1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine (PubChem CID 104888053) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
PubChem CID104888053
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESNN/C(=N\CCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H21F3N4/c12-11(13,14)7-4-8-16-10(18-15)17-9-5-2-1-3-6-9/h9H,1-8,15H2,(H2,16,17,18)
InChIKeyHDLGOLVCIWBCGD-UHFFFAOYSA-N
XLogP2.07
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.07
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

[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine
CID 139320086
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-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884458
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
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-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886396
3-Amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine (CID 104888053) is 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine is NN/C(=N\CCCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is HDLGOLVCIWBCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c12-11(13,14)7-4-8-16-10(18-15)17-9-5-2-1-3-6-9/h9H,1-8,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 266.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 104888053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).