(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide

C19H27F2N3 — CID 162593953

IUPAC(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide
SMILESCC(C)C(C)/C=C\C=C(N)\C(N)=N\Cc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H27F2N3/c1-13(2)14(3)6-5-7-17(22)18(23)24-12-15-8-10-16(11-9-15)19(4,20)21/h5-11,13-14H,12,22H2,1-4H3,(H2,23,24)/b6-5-,17-7-
InChIKeyZMEGFIPNUDYBEH-QVDIOOHOSA-N
MW335.44 g/mol
LogP4.35
Rot. Bonds7

About (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide

(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide (PubChem CID 162593953) has the molecular formula C19H27F2N3 and a molecular weight of 335.44 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide
PubChem CID162593953
Molecular FormulaC19H27F2N3
Molecular Weight335.44 g/mol
Exact Mass335.22
IUPAC Name(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide
SMILESCC(C)C(C)/C=C\C=C(N)\C(N)=N\Cc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H27F2N3/c1-13(2)14(3)6-5-7-17(22)18(23)24-12-15-8-10-16(11-9-15)19(4,20)21/h5-11,13-14H,12,22H2,1-4H3,(H2,23,24)/b6-5-,17-7-
InChIKeyZMEGFIPNUDYBEH-QVDIOOHOSA-N
XLogP4.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.35
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-propan-2-yloxypyridine-2-carboximidamide
CID 123292348
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-fluoro-4-methylbenzenecarboximidamide
CID 123999158
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide
CID 137083359
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-(trifluoromethyl)pyridine-2-carboximidamide;ethane
CID 144678118
5-(1,1-difluoroethyl)-2-hydroxy-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide
CID 144678459
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-methoxypyridine-3-carboximidamide
CID 123777466
5-chloro-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6-methoxypyridine-3-carboximidamide
CID 123707692
2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
CID 168591146
2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 139746208

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide?
The IUPAC name of (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide (CID 162593953) is (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide.
What is the SMILES notation for (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide?
The canonical SMILES for (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide is CC(C)C(C)/C=C\C=C(N)\C(N)=N\Cc1ccc(C(C)(F)F)cc1.
What is the InChIKey of (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide?
The InChIKey is ZMEGFIPNUDYBEH-QVDIOOHOSA-N. The full InChI is InChI=1S/C19H27F2N3/c1-13(2)14(3)6-5-7-17(22)18(23)24-12-15-8-10-16(11-9-15)19(4,20)21/h5-11,13-14H,12,22H2,1-4H3,(H2,23,24)/b6-5-,17-7-.
What are the key properties of (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide?
(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide has a molecular weight of 335.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide is sourced from PubChem (CID 162593953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).