2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine

C18H31NO2 — CID 118871059

IUPAC2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine
SMILESC=CCC(CC=C)OCCNCCOC(CC=C)CC=C
InChIInChI=1S/C18H31NO2/c1-5-9-17(10-6-2)20-15-13-19-14-16-21-18(11-7-3)12-8-4/h5-8,17-19H,1-4,9-16H2
InChIKeyQCCNWMDJIWWORY-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.65
Rot. Bonds16

About 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine

2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine (PubChem CID 118871059) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine
PubChem CID118871059
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine
SMILESC=CCC(CC=C)OCCNCCOC(CC=C)CC=C
InChIInChI=1S/C18H31NO2/c1-5-9-17(10-6-2)20-15-13-19-14-16-21-18(11-7-3)12-8-4/h5-8,17-19H,1-4,9-16H2
InChIKeyQCCNWMDJIWWORY-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
2-Hepta-1,6-dien-4-yloxyethanamine
CID 88109680
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine
CID 121299803
N-(2-hepta-1,6-dien-4-yloxyethyl)propan-1-amine
CID 138465335
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
2-Prop-2-enyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 145850424
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
2-but-3-enoxy-N-propylpropan-1-amine
CID 62441682
2-but-3-enoxy-N-ethylethanamine
CID 62441690
2-but-3-enoxy-N-methylpropan-1-amine
CID 62442675
2-but-3-enoxy-N-ethylpropan-1-amine
CID 62442676

Frequently Asked Questions

What is the IUPAC name of 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine?
The IUPAC name of 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine (CID 118871059) is 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine.
What is the SMILES notation for 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine?
The canonical SMILES for 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine is C=CCC(CC=C)OCCNCCOC(CC=C)CC=C.
What is the InChIKey of 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine?
The InChIKey is QCCNWMDJIWWORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-9-17(10-6-2)20-15-13-19-14-16-21-18(11-7-3)12-8-4/h5-8,17-19H,1-4,9-16H2.
What are the key properties of 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine?
2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.65, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine is sourced from PubChem (CID 118871059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).