N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide

C9H15F2N3 — CID 123481032

IUPACN-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide
SMILES[H]/N=C(C=C(C)C(C)(F)F)\N=C\N(C)C
InChIInChI=1S/C9H15F2N3/c1-7(9(2,10)11)5-8(12)13-6-14(3)4/h5-6,12H,1-4H3/b7-5?,12-8-,13-6+
InChIKeyHKXADFLCISJSPE-USYAVLCFSA-N
MW203.24 g/mol
LogP2.16
Rot. Bonds3

About N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide

N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide (PubChem CID 123481032) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide
PubChem CID123481032
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide
SMILES[H]/N=C(C=C(C)C(C)(F)F)\N=C\N(C)C
InChIInChI=1S/C9H15F2N3/c1-7(9(2,10)11)5-8(12)13-6-14(3)4/h5-6,12H,1-4H3/b7-5?,12-8-,13-6+
InChIKeyHKXADFLCISJSPE-USYAVLCFSA-N
XLogP2.16
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide
CID 143155770

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide?
The IUPAC name of N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide (CID 123481032) is N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide?
The canonical SMILES for N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide is [H]/N=C(C=C(C)C(C)(F)F)\N=C\N(C)C.
What is the InChIKey of N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide?
The InChIKey is HKXADFLCISJSPE-USYAVLCFSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-7(9(2,10)11)5-8(12)13-6-14(3)4/h5-6,12H,1-4H3/b7-5?,12-8-,13-6+.
What are the key properties of N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide?
N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide has a molecular weight of 203.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide is sourced from PubChem (CID 123481032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).