2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C11H20F3N3O — CID 103370634

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CC1CCCO1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-2-17(6-8-4-3-5-18-8)7-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16)
InChIKeyIPTOCJPQXHHTDY-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.60
Rot. Bonds6

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370634) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370634
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CC1CCCO1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-2-17(6-8-4-3-5-18-8)7-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16)
InChIKeyIPTOCJPQXHHTDY-UHFFFAOYSA-N
XLogP1.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.60
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

N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366209
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366212
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369310
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-2-ylmethylamino)methyl]propanimidamide
CID 103369555
3,3,3-Trifluoro-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103370631
3,3,3-Trifluoro-2-[(3-propoxypiperidin-1-yl)methyl]propanimidamide
CID 103370657
2-[(3-Ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370658
3,3,3-Trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propanimidamide
CID 103370777
3,3,3-Trifluoro-2-[(3-methoxypyrrolidin-1-yl)methyl]propanimidamide
CID 103534168
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanimidamide
CID 113807953
3,3,3-Trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanimidamide
CID 113808131
3,3,3-Trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanimidamide
CID 113808168

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370634) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CC)CC1CCCO1)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is IPTOCJPQXHHTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-17(6-8-4-3-5-18-8)7-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16).
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 267.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).