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

C10H21FN2 — CID 153350906

IUPACethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
SMILESCC.CC/C(C)=C(F)\C(CN)=N\C
InChIInChI=1S/C8H15FN2.C2H6/c1-4-6(2)8(9)7(5-10)11-3;1-2/h4-5,10H2,1-3H3;1-2H3/b8-6+,11-7+;
InChIKeyMXHVIELACZBUPP-OHSZSVATSA-N
MW188.29 g/mol
LogP2.70
Rot. Bonds3

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

ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine (PubChem CID 153350906) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
PubChem CID153350906
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Nameethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
SMILESCC.CC/C(C)=C(F)\C(CN)=N\C
InChIInChI=1S/C8H15FN2.C2H6/c1-4-6(2)8(9)7(5-10)11-3;1-2/h4-5,10H2,1-3H3;1-2H3/b8-6+,11-7+;
InChIKeyMXHVIELACZBUPP-OHSZSVATSA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.70
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)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
CID 153350907
(E)-4-methyl-2-methyliminohex-3-en-1-amine
CID 129210151
Ethane;2-imino-3,4-dimethylpent-3-en-1-amine
CID 143462356
Ethane;2-methyl-4-propan-2-yliminopent-2-en-3-amine
CID 162681965
ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
CID 170732037
2-Methyl-4-propan-2-yliminopent-2-en-3-amine
CID 162681966
2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
CID 170732038

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
The IUPAC name of ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine (CID 153350906) is ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
The canonical SMILES for ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine is CC.CC/C(C)=C(F)\C(CN)=N\C.
What is the InChIKey of ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
The InChIKey is MXHVIELACZBUPP-OHSZSVATSA-N. The full InChI is InChI=1S/C8H15FN2.C2H6/c1-4-6(2)8(9)7(5-10)11-3;1-2/h4-5,10H2,1-3H3;1-2H3/b8-6+,11-7+;.
What are the key properties of ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine?
ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine has a molecular weight of 188.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 153350906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).