(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide

C12H20F2N2 — CID 169247484

IUPAC(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
SMILESCC/C=C(\N=C(N)\C=C(/C)CCC)C(F)F
InChIInChI=1S/C12H20F2N2/c1-4-6-9(3)8-11(15)16-10(7-5-2)12(13)14/h7-8,12H,4-6H2,1-3H3,(H2,15,16)/b9-8+,10-7-
InChIKeyPEOCITDMLAPFLX-AZRUORMVSA-N
MW230.30 g/mol
LogP3.65
Rot. Bonds6

About (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide

(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide (PubChem CID 169247484) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
PubChem CID169247484
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
SMILESCC/C=C(\N=C(N)\C=C(/C)CCC)C(F)F
InChIInChI=1S/C12H20F2N2/c1-4-6-9(3)8-11(15)16-10(7-5-2)12(13)14/h7-8,12H,4-6H2,1-3H3,(H2,15,16)/b9-8+,10-7-
InChIKeyPEOCITDMLAPFLX-AZRUORMVSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.65
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

N'-[(Z)-2-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]but-2-enyl]ethanimidamide
CID 155728806
N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
CID 164867572
2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide
CID 170150378
3-amino-5,5,5-trifluoro-N',4,4-trimethylpent-2-enimidamide
CID 173833049
4-ethyl-2-propan-2-yl-6-(trifluoromethyl)-4H-azepin-7-amine
CID 148250050
N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
CID 153345700
(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide
CID 169247325
4-ethyl-2,5-dimethyl-4H-azepin-7-amine
CID 123748203
3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide
CID 143378489
(Z,4Z)-4-ethylidene-N'-[(2Z)-3-methylpenta-2,4-dien-2-yl]hept-2-enimidamide
CID 156256973
2,5-dimethyl-4H-azepin-7-amine
CID 169850730

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
The IUPAC name of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide (CID 169247484) is (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide.
What is the SMILES notation for (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
The canonical SMILES for (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide is CC/C=C(\N=C(N)\C=C(/C)CCC)C(F)F.
What is the InChIKey of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
The InChIKey is PEOCITDMLAPFLX-AZRUORMVSA-N. The full InChI is InChI=1S/C12H20F2N2/c1-4-6-9(3)8-11(15)16-10(7-5-2)12(13)14/h7-8,12H,4-6H2,1-3H3,(H2,15,16)/b9-8+,10-7-.
What are the key properties of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide has a molecular weight of 230.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide is sourced from PubChem (CID 169247484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).