1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine

C12H23F3N4O — CID 109471791

IUPAC1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC1CN(C)CCO1)NCCC(F)(F)F
InChIInChI=1S/C12H23F3N4O/c1-3-16-11(17-5-4-12(13,14)15)18-8-10-9-19(2)6-7-20-10/h10H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeySSLHHTMWZNWJBW-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.82
Rot. Bonds5

About 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine

1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109471791) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109471791
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC1CN(C)CCO1)NCCC(F)(F)F
InChIInChI=1S/C12H23F3N4O/c1-3-16-11(17-5-4-12(13,14)15)18-8-10-9-19(2)6-7-20-10/h10H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeySSLHHTMWZNWJBW-UHFFFAOYSA-N
XLogP0.82
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine
CID 2798365
2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 91644058
2-Methyl-1-(2-morpholin-4-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 91659449
2-methyl-1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848257
2-methyl-1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848258
N-(2-methoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376217
N'-(2-ethoxyethyl)-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376311
N'-methyl-N-(3-propan-2-yloxypropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377145
N-(2-ethoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377516
N-(2-ethoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377517
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377601
N-(2-butoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378596

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine (CID 109471791) is 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CC1CN(C)CCO1)NCCC(F)(F)F.
What is the InChIKey of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is SSLHHTMWZNWJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-3-16-11(17-5-4-12(13,14)15)18-8-10-9-19(2)6-7-20-10/h10H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 296.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109471791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).