N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine

C10H17FN2 — CID 143846292

IUPACN'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C)N(C)CCNC
InChIInChI=1S/C10H17FN2/c1-9(11)5-6-10(2)13(4)8-7-12-3/h5-6,12H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyFWQDAGIHUUZSJX-WAYWQWQTSA-N
MW184.26 g/mol
LogP1.69
Rot. Bonds6

About N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine

N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 143846292) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID143846292
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C)N(C)CCNC
InChIInChI=1S/C10H17FN2/c1-9(11)5-6-10(2)13(4)8-7-12-3/h5-6,12H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyFWQDAGIHUUZSJX-WAYWQWQTSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine (CID 143846292) is N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine is C=C(F)/C=C\C(=C)N(C)CCNC.
What is the InChIKey of N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FWQDAGIHUUZSJX-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17FN2/c1-9(11)5-6-10(2)13(4)8-7-12-3/h5-6,12H,1-2,7-8H2,3-4H3/b6-5-.
What are the key properties of N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 184.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 143846292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).