N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine

C14H26N2O — CID 145309845

IUPACN'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESC=C/C=C(/OCC)C(=C)N(C)CCN(C)CC
InChIInChI=1S/C14H26N2O/c1-7-10-14(17-9-3)13(4)16(6)12-11-15(5)8-2/h7,10H,1,4,8-9,11-12H2,2-3,5-6H3/b14-10+
InChIKeyIBTXXZFIYWCGCN-GXDHUFHOSA-N
MW238.37 g/mol
LogP2.49
Rot. Bonds9

About N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine

N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 145309845) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
PubChem CID145309845
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESC=C/C=C(/OCC)C(=C)N(C)CCN(C)CC
InChIInChI=1S/C14H26N2O/c1-7-10-14(17-9-3)13(4)16(6)12-11-15(5)8-2/h7,10H,1,4,8-9,11-12H2,2-3,5-6H3/b14-10+
InChIKeyIBTXXZFIYWCGCN-GXDHUFHOSA-N
XLogP2.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Dimethylamino-3-isopropyl(3-dimethylamino)-2h-pyran
CID 129789428
N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143046248
4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 20773179
(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine
CID 88957062
(3E)-N,N-dimethyl-3-propoxypenta-1,3-dien-2-amine
CID 141805787
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099639
1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128655
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 142241416
(3E,5E)-6-[2-(diethylamino)ethoxy]hepta-1,3,5-trien-3-amine
CID 142260517
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine;ethane
CID 143157636
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine
CID 143157637

Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine (CID 145309845) is N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine is C=C/C=C(/OCC)C(=C)N(C)CCN(C)CC.
What is the InChIKey of N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IBTXXZFIYWCGCN-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H26N2O/c1-7-10-14(17-9-3)13(4)16(6)12-11-15(5)8-2/h7,10H,1,4,8-9,11-12H2,2-3,5-6H3/b14-10+.
What are the key properties of N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 145309845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).