N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine

C12H21FN2 — CID 143287780

IUPACN'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C/C)N(C)CCN(C)C
InChIInChI=1S/C12H21FN2/c1-6-12(8-7-11(2)13)15(5)10-9-14(3)4/h6-8H,2,9-10H2,1,3-5H3/b8-7-,12-6+
InChIKeyGASGOGCXZCSLCG-HRZQEMGZSA-N
MW212.31 g/mol
LogP2.42
Rot. Bonds6

About N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 143287780) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID143287780
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC NameN'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C/C)N(C)CCN(C)C
InChIInChI=1S/C12H21FN2/c1-6-12(8-7-11(2)13)15(5)10-9-14(3)4/h6-8H,2,9-10H2,1,3-5H3/b8-7-,12-6+
InChIKeyGASGOGCXZCSLCG-HRZQEMGZSA-N
XLogP2.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
N'-[(3E)-5-chloro-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099565
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
N'-[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099608
N'-[(3E)-3,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099623
N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
CID 142234261
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
N,N,N'-trimethyl-N'-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144127806
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 143287780) is N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine is C=C(F)/C=C\C(=C/C)N(C)CCN(C)C.
What is the InChIKey of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GASGOGCXZCSLCG-HRZQEMGZSA-N. The full InChI is InChI=1S/C12H21FN2/c1-6-12(8-7-11(2)13)15(5)10-9-14(3)4/h6-8H,2,9-10H2,1,3-5H3/b8-7-,12-6+.
What are the key properties of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 212.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 143287780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).