ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine

C14H27NO — CID 142151937

IUPACethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C/C=C(\C=C/C)OC(C)CN(C)C.CC
InChIInChI=1S/C12H21NO.C2H6/c1-6-8-12(9-7-2)14-11(3)10-13(4)5;1-2/h6-9,11H,1,10H2,2-5H3;1-2H3/b9-7-,12-8+;
InChIKeyHFTKXSUASYHJGZ-CNSJPFLBSA-N
MW225.38 g/mol
LogP3.63
Rot. Bonds6

About ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine

ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 142151937) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Nameethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID142151937
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C/C=C(\C=C/C)OC(C)CN(C)C.CC
InChIInChI=1S/C12H21NO.C2H6/c1-6-8-12(9-7-2)14-11(3)10-13(4)5;1-2/h6-9,11H,1,10H2,2-5H3;1-2H3/b9-7-,12-8+;
InChIKeyHFTKXSUASYHJGZ-CNSJPFLBSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide
CID 10923556
4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
bromozinc(1+);N,N-dimethyl-2-(phenoxy)ethanamine
CID 11809046
N-fluoro-N-methyl-2-[(3E)-penta-1,3-dien-3-yl]oxyethanamine
CID 172599685
Magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine
CID 21355747
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
CID 59959738
2-buta-1,3-dien-2-yloxy-N,N-diethylethanamine
CID 60138438
2-buta-1,3-dien-2-yloxy-N,N-dimethylethanamine
CID 60138442
Magnesium bromide 4-[2-(diethylamino)ethoxy]benzen-1-ide (1/1/1)
CID 73185304
N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
CID 88918502
N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
CID 88929526
2-[(2Z,4Z)-hexa-2,4-dienoxy]-N,N-dimethylethanamine
CID 117986318

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine (CID 142151937) is ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine is C=C/C=C(\C=C/C)OC(C)CN(C)C.CC.
What is the InChIKey of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is HFTKXSUASYHJGZ-CNSJPFLBSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-6-8-12(9-7-2)14-11(3)10-13(4)5;1-2/h6-9,11H,1,10H2,2-5H3;1-2H3/b9-7-,12-8+;.
What are the key properties of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine?
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 142151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).