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

C12H23FN2 — CID 143846291

IUPACethane;N'-[(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.CC
InChIInChI=1S/C10H17FN2.C2H6/c1-9(11)5-6-10(2)13(4)8-7-12-3;1-2/h5-6,12H,1-2,7-8H2,3-4H3;1-2H3/b6-5-;
InChIKeyXOLQNGSXVAHWAH-YSMBQZINSA-N
MW214.33 g/mol
LogP2.72
Rot. Bonds6

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

ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 143846291) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID143846291
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Nameethane;N'-[(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.CC
InChIInChI=1S/C10H17FN2.C2H6/c1-9(11)5-6-10(2)13(4)8-7-12-3;1-2/h5-6,12H,1-2,7-8H2,3-4H3;1-2H3/b6-5-;
InChIKeyXOLQNGSXVAHWAH-YSMBQZINSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
CID 142234261
N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene
CID 143050998
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632013
(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
CID 178081175
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
CID 145385176
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine (CID 143846291) is ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is XOLQNGSXVAHWAH-YSMBQZINSA-N. The full InChI is InChI=1S/C10H17FN2.C2H6/c1-9(11)5-6-10(2)13(4)8-7-12-3;1-2/h5-6,12H,1-2,7-8H2,3-4H3;1-2H3/b6-5-;.
What are the key properties of ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 214.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 143846291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).