1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

C10H21F3N4 — CID 109473447

IUPAC1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN(C)CCN/C(=N\C)NCCC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-4-17(3)8-7-16-9(14-2)15-6-5-10(11,12)13/h4-8H2,1-3H3,(H2,14,15,16)
InChIKeyMFKNTHOYYRRIRR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.06
Rot. Bonds6

About 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473447) has the molecular formula C10H21F3N4 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109473447
Molecular FormulaC10H21F3N4
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN(C)CCN/C(=N\C)NCCC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-4-17(3)8-7-16-9(14-2)15-6-5-10(11,12)13/h4-8H2,1-3H3,(H2,14,15,16)
InChIKeyMFKNTHOYYRRIRR-UHFFFAOYSA-N
XLogP1.06
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 11161484
N-(2-fluoroethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 117682042
1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 138502581
N-(2-fluoroethyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 146245866
1-Cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine
CID 155782437
1-Butyl-3-carbamimidoyl-2-(2,2,2-trifluoroethyl)guanidine;hydrochloride
CID 176536247
1-Butyl-3-(diaminomethylidene)-2-(2,2,2-trifluoroethyl)guanidine
CID 54154963
N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 56801273
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide
CID 75532965
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
CID 75532966
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376181
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 109376305

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109473447) is 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is CCN(C)CCN/C(=N\C)NCCC(F)(F)F.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is MFKNTHOYYRRIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4/c1-4-17(3)8-7-16-9(14-2)15-6-5-10(11,12)13/h4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 254.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).