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

C10H18FN — CID 144510980

IUPAC(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
SMILESCCC(=N\C)/C(=C(\C)F)C(C)C
InChIInChI=1S/C10H18FN/c1-6-9(12-5)10(7(2)3)8(4)11/h7H,6H2,1-5H3/b10-8+,12-9+
InChIKeyLIYJEUKMIQHVBC-AXDLQRQNSA-N
MW171.26 g/mol
LogP3.37
Rot. Bonds3

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

(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine (PubChem CID 144510980) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
PubChem CID144510980
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
SMILESCCC(=N\C)/C(=C(\C)F)C(C)C
InChIInChI=1S/C10H18FN/c1-6-9(12-5)10(7(2)3)8(4)11/h7H,6H2,1-5H3/b10-8+,12-9+
InChIKeyLIYJEUKMIQHVBC-AXDLQRQNSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
The IUPAC name of (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine (CID 144510980) is (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine.
What is the SMILES notation for (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
The canonical SMILES for (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine is CCC(=N\C)/C(=C(\C)F)C(C)C.
What is the InChIKey of (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
The InChIKey is LIYJEUKMIQHVBC-AXDLQRQNSA-N. The full InChI is InChI=1S/C10H18FN/c1-6-9(12-5)10(7(2)3)8(4)11/h7H,6H2,1-5H3/b10-8+,12-9+.
What are the key properties of (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine?
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine has a molecular weight of 171.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine is sourced from PubChem (CID 144510980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).