ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine

C17H33FN2O — CID 143418445

IUPACethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
SMILESC/C=C(\C=C/C(C)N1CCCC1)C(OC)C(N)CF.CC
InChIInChI=1S/C15H27FN2O.C2H6/c1-4-13(15(19-3)14(17)11-16)8-7-12(2)18-9-5-6-10-18;1-2/h4,7-8,12,14-15H,5-6,9-11,17H2,1-3H3;1-2H3/b8-7-,13-4+;
InChIKeyRNAHGLHGHUEBAM-NCUVUZFZSA-N
MW300.46 g/mol
LogP3.31
Rot. Bonds7

About ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine

ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine (PubChem CID 143418445) has the molecular formula C17H33FN2O and a molecular weight of 300.46 g/mol. Its IUPAC name is ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine.

Molecular Properties

Compound Nameethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
PubChem CID143418445
Molecular FormulaC17H33FN2O
Molecular Weight300.46 g/mol
Exact Mass300.26
IUPAC Nameethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
SMILESC/C=C(\C=C/C(C)N1CCCC1)C(OC)C(N)CF.CC
InChIInChI=1S/C15H27FN2O.C2H6/c1-4-13(15(19-3)14(17)11-16)8-7-12(2)18-9-5-6-10-18;1-2/h4,7-8,12,14-15H,5-6,9-11,17H2,1-3H3;1-2H3/b8-7-,13-4+;
InChIKeyRNAHGLHGHUEBAM-NCUVUZFZSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
The IUPAC name of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine (CID 143418445) is ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine.
What is the SMILES notation for ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
The canonical SMILES for ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine is C/C=C(\C=C/C(C)N1CCCC1)C(OC)C(N)CF.CC.
What is the InChIKey of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
The InChIKey is RNAHGLHGHUEBAM-NCUVUZFZSA-N. The full InChI is InChI=1S/C15H27FN2O.C2H6/c1-4-13(15(19-3)14(17)11-16)8-7-12(2)18-9-5-6-10-18;1-2/h4,7-8,12,14-15H,5-6,9-11,17H2,1-3H3;1-2H3/b8-7-,13-4+;.
What are the key properties of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine has a molecular weight of 300.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine is sourced from PubChem (CID 143418445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).