(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen

C10H19F3N2 — CID 166470688

IUPAC(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen
SMILESC/C=C\C(CC(NC)C(F)(F)F)=N/CC.[H][H]
InChIInChI=1S/C10H17F3N2.H2/c1-4-6-8(15-5-2)7-9(14-3)10(11,12)13;/h4,6,9,14H,5,7H2,1-3H3;1H/b6-4-,15-8+;
InChIKeySYEXIQUKDVIWIY-XYOKHZBNSA-N
MW224.27 g/mol
LogP2.81
Rot. Bonds5

About (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen

(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen (PubChem CID 166470688) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen
PubChem CID166470688
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen
SMILESC/C=C\C(CC(NC)C(F)(F)F)=N/CC.[H][H]
InChIInChI=1S/C10H17F3N2.H2/c1-4-6-8(15-5-2)7-9(14-3)10(11,12)13;/h4,6,9,14H,5,7H2,1-3H3;1H/b6-4-,15-8+;
InChIKeySYEXIQUKDVIWIY-XYOKHZBNSA-N
XLogP2.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine
CID 123196500
1-N-methyl-3-N-[[[(Z)-8,8,8-trifluorooct-5-en-4-ylidene]amino]methoxymethyl]pentane-1,3-diamine
CID 123362555
(Z)-N-ethyl-6-(methylamino)hex-2-enimidoyl fluoride
CID 132003988
(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine;molecular hydrogen
CID 166470500
(Z)-1,1,1-trifluoro-4-methylimino-N-propan-2-yloct-5-en-2-amine
CID 166470873
(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine
CID 166942579
(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine
CID 166470501
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine
CID 166470689
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
(Z)-3-imino-N-methylhept-4-en-1-amine
CID 139477694
(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine
CID 142887633
(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
CID 143115352

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen?
The IUPAC name of (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen (CID 166470688) is (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen.
What is the SMILES notation for (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen?
The canonical SMILES for (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen is C/C=C\C(CC(NC)C(F)(F)F)=N/CC.[H][H].
What is the InChIKey of (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen?
The InChIKey is SYEXIQUKDVIWIY-XYOKHZBNSA-N. The full InChI is InChI=1S/C10H17F3N2.H2/c1-4-6-8(15-5-2)7-9(14-3)10(11,12)13;/h4,6,9,14H,5,7H2,1-3H3;1H/b6-4-,15-8+;.
What are the key properties of (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen?
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen has a molecular weight of 224.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen is sourced from PubChem (CID 166470688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).