ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine

C12H24FN — CID 144510979

IUPACethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
SMILESCC.CCC(=N\C)/C(=C(\C)F)C(C)C
InChIInChI=1S/C10H18FN.C2H6/c1-6-9(12-5)10(7(2)3)8(4)11;1-2/h7H,6H2,1-5H3;1-2H3/b10-8+,12-9+;
InChIKeyRIEIDEDLKKEBPA-GXCNBMKJSA-N
MW201.33 g/mol
LogP4.39
Rot. Bonds3

About ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine

ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine (PubChem CID 144510979) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine.

Molecular Properties

Compound Nameethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
PubChem CID144510979
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Nameethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
SMILESCC.CCC(=N\C)/C(=C(\C)F)C(C)C
InChIInChI=1S/C10H18FN.C2H6/c1-6-9(12-5)10(7(2)3)8(4)11;1-2/h7H,6H2,1-5H3;1-2H3/b10-8+,12-9+;
InChIKeyRIEIDEDLKKEBPA-GXCNBMKJSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
7-ethyl-5-fluoro-3-methyl-6-propan-2-yl-3,4-dihydro-2H-azepine
CID 123951611
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
CID 171833118
5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
CID 174320374
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
6-(1,1-Difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 162583642
(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine
CID 177146394
(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine
CID 177146657

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
The IUPAC name of ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine (CID 144510979) is ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine.
What is the SMILES notation for ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
The canonical SMILES for ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine is CC.CCC(=N\C)/C(=C(\C)F)C(C)C.
What is the InChIKey of ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
The InChIKey is RIEIDEDLKKEBPA-GXCNBMKJSA-N. The full InChI is InChI=1S/C10H18FN.C2H6/c1-6-9(12-5)10(7(2)3)8(4)11;1-2/h7H,6H2,1-5H3;1-2H3/b10-8+,12-9+;.
What are the key properties of ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine has a molecular weight of 201.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine is sourced from PubChem (CID 144510979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).