N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine

C12H21FN2 — CID 129136227

IUPACN-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C/C(F)=C\C=C(\C)CNCCN(C)C
InChIInChI=1S/C12H21FN2/c1-5-12(13)7-6-11(2)10-14-8-9-15(3)4/h5-7,14H,1,8-10H2,2-4H3/b11-6-,12-7+
InChIKeyGFWPXIMIINSOLE-TWTKIJFOSA-N
MW212.31 g/mol
LogP2.12
Rot. Bonds7

About N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine

N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 129136227) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID129136227
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC NameN-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C/C(F)=C\C=C(\C)CNCCN(C)C
InChIInChI=1S/C12H21FN2/c1-5-12(13)7-6-11(2)10-14-8-9-15(3)4/h5-7,14H,1,8-10H2,2-4H3/b11-6-,12-7+
InChIKeyGFWPXIMIINSOLE-TWTKIJFOSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine (CID 129136227) is N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine is C=C/C(F)=C\C=C(\C)CNCCN(C)C.
What is the InChIKey of N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GFWPXIMIINSOLE-TWTKIJFOSA-N. The full InChI is InChI=1S/C12H21FN2/c1-5-12(13)7-6-11(2)10-14-8-9-15(3)4/h5-7,14H,1,8-10H2,2-4H3/b11-6-,12-7+.
What are the key properties of N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 212.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 129136227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).