(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine

C8H15FN2 — CID 153350907

IUPAC(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
SMILESCC/C(C)=C(F)\C(CN)=N\C
InChIInChI=1S/C8H15FN2/c1-4-6(2)8(9)7(5-10)11-3/h4-5,10H2,1-3H3/b8-6+,11-7+
InChIKeyWPACKUOJGNWUTQ-JMFBPXTISA-N
MW158.22 g/mol
LogP1.67
Rot. Bonds3

About (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine

(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine (PubChem CID 153350907) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
PubChem CID153350907
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
SMILESCC/C(C)=C(F)\C(CN)=N\C
InChIInChI=1S/C8H15FN2/c1-4-6(2)8(9)7(5-10)11-3/h4-5,10H2,1-3H3/b8-6+,11-7+
InChIKeyWPACKUOJGNWUTQ-JMFBPXTISA-N
XLogP1.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.67
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

(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride
CID 126593498
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine
CID 162595351
(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine
CID 167170110
1,1,1-Trifluoro-3-methyl-4-propyliminopent-2-en-2-amine
CID 173816033
(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine
CID 144910954
(E)-4-methyl-2-methyliminohex-3-en-1-amine
CID 129210151
ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
CID 153350906

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine (CID 153350907) is (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine is CC/C(C)=C(F)\C(CN)=N\C.
What is the InChIKey of (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
The InChIKey is WPACKUOJGNWUTQ-JMFBPXTISA-N. The full InChI is InChI=1S/C8H15FN2/c1-4-6(2)8(9)7(5-10)11-3/h4-5,10H2,1-3H3/b8-6+,11-7+.
What are the key properties of (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine has a molecular weight of 158.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 153350907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).