N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide

C10H16F3N5 — CID 162547753

IUPACN'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide
SMILESC=C(NC(=C)C(F)(F)F)/C(N)=C(\N=CN)N(C)C
InChIInChI=1S/C10H16F3N5/c1-6(17-7(2)10(11,12)13)8(15)9(16-5-14)18(3)4/h5,17H,1-2,15H2,3-4H3,(H2,14,16)/b9-8-
InChIKeyUGLWLPFYSGAAKY-HJWRWDBZSA-N
MW263.27 g/mol
LogP0.84
Rot. Bonds5

About N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide

N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide (PubChem CID 162547753) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide
PubChem CID162547753
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC NameN'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide
SMILESC=C(NC(=C)C(F)(F)F)/C(N)=C(\N=CN)N(C)C
InChIInChI=1S/C10H16F3N5/c1-6(17-7(2)10(11,12)13)8(15)9(16-5-14)18(3)4/h5,17H,1-2,15H2,3-4H3,(H2,14,16)/b9-8-
InChIKeyUGLWLPFYSGAAKY-HJWRWDBZSA-N
XLogP0.84
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3,3,3-trifluoro-N-prop-1-en-2-ylprop-1-en-2-amine
CID 155263831
ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
2-cyano-3-methylsulfanyl-3-(3,3,3-trifluoroprop-1-en-2-ylamino)prop-2-enamide
CID 162593868
N'-(1-chloroethenyl)methanimidamide
CID 123794838
(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162549135
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599
methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate
CID 149233706

Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide (CID 162547753) is N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide is C=C(NC(=C)C(F)(F)F)/C(N)=C(\N=CN)N(C)C.
What is the InChIKey of N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide?
The InChIKey is UGLWLPFYSGAAKY-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-6(17-7(2)10(11,12)13)8(15)9(16-5-14)18(3)4/h5,17H,1-2,15H2,3-4H3,(H2,14,16)/b9-8-.
What are the key properties of N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide?
N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide has a molecular weight of 263.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-amino-1-(dimethylamino)-3-(3,3,3-trifluoroprop-1-en-2-ylamino)buta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 162547753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).