triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium

C16H30NO+ — CID 142241501

IUPACtriethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
SMILESC=C(/C=C\C=C(/C)C[N+](CC)(CC)CC)COC
InChIInChI=1S/C16H30NO/c1-7-17(8-2,9-3)13-15(4)11-10-12-16(5)14-18-6/h10-12H,5,7-9,13-14H2,1-4,6H3/q+1/b12-10-,15-11+
InChIKeyYWHZEBJBLVTWMA-MOPKJALQSA-N
MW252.42 g/mol
LogP3.57
Rot. Bonds9

About triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium

triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium (PubChem CID 142241501) has the molecular formula C16H30NO+ and a molecular weight of 252.42 g/mol. Its IUPAC name is triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium.

Molecular Properties

Compound Nametriethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
PubChem CID142241501
Molecular FormulaC16H30NO+
Molecular Weight252.42 g/mol
Exact Mass252.23
IUPAC Nametriethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
SMILESC=C(/C=C\C=C(/C)C[N+](CC)(CC)CC)COC
InChIInChI=1S/C16H30NO/c1-7-17(8-2,9-3)13-15(4)11-10-12-16(5)14-18-6/h10-12H,5,7-9,13-14H2,1-4,6H3/q+1/b12-10-,15-11+
InChIKeyYWHZEBJBLVTWMA-MOPKJALQSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
CID 138968244
N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
CID 90742949
N-[(3-methoxy-2,7-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-N-methylethanamine
CID 90965697
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
N-[(4-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-N-propylbutan-1-amine
CID 138519215
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796
ethane;(1E,3Z)-N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-4-methylhexa-1,3,5-trien-1-amine
CID 142549975
(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene
CID 142550153
ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane
CID 143996936
N-(methoxymethyl)-N'-[(3Z,5E)-5-(methoxymethyl)-2-methylocta-3,5,7-trienyl]-N-methyl-N'-propylethane-1,2-diamine
CID 156301294
butyl-ethyl-[2-[(3Z,5Z)-2-methylidenehepta-3,5-dienoxy]ethyl]-propylazanium
CID 167055850
N-methyl-N-[[(2E,5E,7Z)-3-methyl-9-methylidene-4H-oxonin-6-yl]methyl]ethanamine
CID 173698221

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium?
The IUPAC name of triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium (CID 142241501) is triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium.
What is the SMILES notation for triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium?
The canonical SMILES for triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium is C=C(/C=C\C=C(/C)C[N+](CC)(CC)CC)COC.
What is the InChIKey of triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium?
The InChIKey is YWHZEBJBLVTWMA-MOPKJALQSA-N. The full InChI is InChI=1S/C16H30NO/c1-7-17(8-2,9-3)13-15(4)11-10-12-16(5)14-18-6/h10-12H,5,7-9,13-14H2,1-4,6H3/q+1/b12-10-,15-11+.
What are the key properties of triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium?
triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium has a molecular weight of 252.42 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium is sourced from PubChem (CID 142241501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).