(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine

C15H27FN2O — CID 146237710

IUPAC(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine
SMILESC=C(/C=C\C=C(/C)F)[C@H](C)[C@H](N)CN(C)CCOC
InChIInChI=1S/C15H27FN2O/c1-12(7-6-8-13(2)16)14(3)15(17)11-18(4)9-10-19-5/h6-8,14-15H,1,9-11,17H2,2-5H3/b7-6-,13-8+/t14-,15+/m0/s1
InChIKeyLTLNEZJQGOIMHJ-REYCSXHTSA-N
MW270.39 g/mol
LogP2.51
Rot. Bonds9

About (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine

(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine (PubChem CID 146237710) has the molecular formula C15H27FN2O and a molecular weight of 270.39 g/mol. Its IUPAC name is (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine.

Molecular Properties

Compound Name(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine
PubChem CID146237710
Molecular FormulaC15H27FN2O
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine
SMILESC=C(/C=C\C=C(/C)F)[C@H](C)[C@H](N)CN(C)CCOC
InChIInChI=1S/C15H27FN2O/c1-12(7-6-8-13(2)16)14(3)15(17)11-18(4)9-10-19-5/h6-8,14-15H,1,9-11,17H2,2-5H3/b7-6-,13-8+/t14-,15+/m0/s1
InChIKeyLTLNEZJQGOIMHJ-REYCSXHTSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.51
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 (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine?
The IUPAC name of (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine (CID 146237710) is (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine.
What is the SMILES notation for (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine?
The canonical SMILES for (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine is C=C(/C=C\C=C(/C)F)[C@H](C)[C@H](N)CN(C)CCOC.
What is the InChIKey of (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine?
The InChIKey is LTLNEZJQGOIMHJ-REYCSXHTSA-N. The full InChI is InChI=1S/C15H27FN2O/c1-12(7-6-8-13(2)16)14(3)15(17)11-18(4)9-10-19-5/h6-8,14-15H,1,9-11,17H2,2-5H3/b7-6-,13-8+/t14-,15+/m0/s1.
What are the key properties of (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine?
(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine has a molecular weight of 270.39 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine is sourced from PubChem (CID 146237710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).