3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide

C8H18FN3 — CID 80695718

IUPAC3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCF
InChIInChI=1S/C8H18FN3/c1-3-12(5-4-9)6-7(2)8(10)11/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeyMBDUZZQSBHRIFU-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.85
Rot. Bonds6

About 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide

3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide (PubChem CID 80695718) has the molecular formula C8H18FN3 and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide
PubChem CID80695718
Molecular FormulaC8H18FN3
Molecular Weight175.25 g/mol
Exact Mass175.15
IUPAC Name3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCF
InChIInChI=1S/C8H18FN3/c1-3-12(5-4-9)6-7(2)8(10)11/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeyMBDUZZQSBHRIFU-UHFFFAOYSA-N
XLogP0.85
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.85
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,N-Diethyl-N'-((isopropyl)carbonimidoyl)propane-1,3-diamine
CID 3017529
3-[Methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 28387397
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60891945
3-[2,2-Difluoroethyl(methyl)amino]propanimidamide
CID 60921772
3-[Ethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61576470
3-[2,2-Difluoroethyl(ethyl)amino]propanimidamide
CID 61576497
3-[2,2-Difluoroethyl(ethyl)amino]-2-methylpropanimidamide
CID 61577218
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 61577345
3-[2,2-Difluoroethyl(methyl)amino]-2-methylpropanimidamide
CID 61577850
3-[2,2-Difluoroethyl(propan-2-yl)amino]propanimidamide
CID 61585418
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61585498
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 61604479

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide (CID 80695718) is 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CCF.
What is the InChIKey of 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide?
The InChIKey is MBDUZZQSBHRIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3/c1-3-12(5-4-9)6-7(2)8(10)11/h7H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide?
3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide has a molecular weight of 175.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 80695718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).