N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide

C7H15F2N3 — CID 155312938

IUPACN'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide
SMILESCC/N=C(\NNCC)C(C)(F)F
InChIInChI=1S/C7H15F2N3/c1-4-10-6(7(3,8)9)12-11-5-2/h11H,4-5H2,1-3H3,(H,10,12)
InChIKeyDBYXPEBLTMOVCO-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.17
Rot. Bonds4

About N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide

N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide (PubChem CID 155312938) has the molecular formula C7H15F2N3 and a molecular weight of 179.21 g/mol. Its IUPAC name is N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide
PubChem CID155312938
Molecular FormulaC7H15F2N3
Molecular Weight179.21 g/mol
Exact Mass179.12
IUPAC NameN'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide
SMILESCC/N=C(\NNCC)C(C)(F)F
InChIInChI=1S/C7H15F2N3/c1-4-10-6(7(3,8)9)12-11-5-2/h11H,4-5H2,1-3H3,(H,10,12)
InChIKeyDBYXPEBLTMOVCO-UHFFFAOYSA-N
XLogP1.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.17
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(ethylamino)-N',2,2-trimethylpropanimidamide
CID 146267713
1-ethyl-2-(2,2,2-trifluoroethyl)hydrazine
CID 118974813
N-[(3R)-3-aminobutan-2-yl]-N'-ethyl-2,2,2-trifluoroethanimidamide
CID 162594738
N'-amino-N-(ethylamino)ethanimidamide
CID 149141171
1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
CID 176541502
N,N'-diethylpropanimidamide;hydrochloride
CID 172818517
N-ethyl-1,1-difluoromethanimine
CID 23233688
N'-ethyl-2-methylprop-2-enehydrazide
CID 18424014
ethylaminocarbamodithioic acid
CID 141050855
N,N'-diethyl-2-oxoethanimidamide
CID 123980775
N'-ethyl-4,4,4-trifluorobutanimidamide
CID 79964264
(E)-2-[N'-ethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]but-2-enoic acid
CID 91540710

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide?
The IUPAC name of N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide (CID 155312938) is N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide.
What is the SMILES notation for N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide?
The canonical SMILES for N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide is CC/N=C(\NNCC)C(C)(F)F.
What is the InChIKey of N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide?
The InChIKey is DBYXPEBLTMOVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3/c1-4-10-6(7(3,8)9)12-11-5-2/h11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide?
N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide has a molecular weight of 179.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(ethylamino)-2,2-difluoropropanimidamide is sourced from PubChem (CID 155312938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).