1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine

C9H18F3N3 — CID 62364796

IUPAC1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3N3/c1-4-5-14-8(13)15(7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCZONFHJQNJAJCS-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.98
Rot. Bonds4

About 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine

1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364796) has the molecular formula C9H18F3N3 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364796
Molecular FormulaC9H18F3N3
Molecular Weight225.26 g/mol
Exact Mass225.15
IUPAC Name1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3N3/c1-4-5-14-8(13)15(7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCZONFHJQNJAJCS-UHFFFAOYSA-N
XLogP1.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine 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

1-Cyano-3,3-bis(propan-2-yl)guanidine
CID 11252236
1,1,2-Tri(propan-2-yl)guanidine
CID 22391788
1,2-Diethyl-1-(2-fluoropropyl)guanidine
CID 90972045
2,2,2-trifluoro-N-methyl-N,N'-di(propan-2-yl)ethanimidamide
CID 160072116
1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453113
1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453115
5-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453116
1-carbamimidoyl-1,2-bis[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210307
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
2-Cyclopentyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064248
1-Propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605169
1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62364796) is 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCC/N=C(\N)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is CZONFHJQNJAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3/c1-4-5-14-8(13)15(7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 225.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).