(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine

C13H20FN — CID 137446355

IUPAC(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine
SMILESC=C(CNCC)/C(F)=C\C=C1CCCC1
InChIInChI=1S/C13H20FN/c1-3-15-10-11(2)13(14)9-8-12-6-4-5-7-12/h8-9,15H,2-7,10H2,1H3/b13-9+
InChIKeyMOFCPISDKFOGLQ-UKTHLTGXSA-N
MW209.31 g/mol
LogP3.51
Rot. Bonds5

About (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine

(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine (PubChem CID 137446355) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine
PubChem CID137446355
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine
SMILESC=C(CNCC)/C(F)=C\C=C1CCCC1
InChIInChI=1S/C13H20FN/c1-3-15-10-11(2)13(14)9-8-12-6-4-5-7-12/h8-9,15H,2-7,10H2,1H3/b13-9+
InChIKeyMOFCPISDKFOGLQ-UKTHLTGXSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine
CID 130392642
1-(7-fluorocyclohepta-1,6-dien-1-yl)-N-propylbutan-1-amine
CID 132198554
(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 134409229
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 142112936
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
CID 142367099
4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
CID 143002647
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338
(4Z,6E)-6-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 143615702

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine?
The IUPAC name of (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine (CID 137446355) is (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine.
What is the SMILES notation for (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine?
The canonical SMILES for (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine is C=C(CNCC)/C(F)=C\C=C1CCCC1.
What is the InChIKey of (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine?
The InChIKey is MOFCPISDKFOGLQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-15-10-11(2)13(14)9-8-12-6-4-5-7-12/h8-9,15H,2-7,10H2,1H3/b13-9+.
What are the key properties of (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine?
(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine is sourced from PubChem (CID 137446355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).