triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium

C14H29N2O+ — CID 146259255

IUPACtriethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
SMILESCC[N+](CC)(CC)CC(/C=C(/C)NC)=C(/C)O
InChIInChI=1S/C14H28N2O/c1-7-16(8-2,9-3)11-14(13(5)17)10-12(4)15-6/h10,15H,7-9,11H2,1-6H3/p+1/b12-10-,14-13-
InChIKeyZMMZUCFGBWNUSM-MMQYBTMXSA-O
MW241.40 g/mol
LogP2.82
Rot. Bonds7

About triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium

triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium (PubChem CID 146259255) has the molecular formula C14H29N2O+ and a molecular weight of 241.40 g/mol. Its IUPAC name is triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium.

Molecular Properties

Compound Nametriethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
PubChem CID146259255
Molecular FormulaC14H29N2O+
Molecular Weight241.40 g/mol
Exact Mass241.23
IUPAC Nametriethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
SMILESCC[N+](CC)(CC)CC(/C=C(/C)NC)=C(/C)O
InChIInChI=1S/C14H28N2O/c1-7-16(8-2,9-3)11-14(13(5)17)10-12(4)15-6/h10,15H,7-9,11H2,1-6H3/p+1/b12-10-,14-13-
InChIKeyZMMZUCFGBWNUSM-MMQYBTMXSA-O
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium?
The IUPAC name of triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium (CID 146259255) is triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium.
What is the SMILES notation for triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium?
The canonical SMILES for triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium is CC[N+](CC)(CC)CC(/C=C(/C)NC)=C(/C)O.
What is the InChIKey of triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium?
The InChIKey is ZMMZUCFGBWNUSM-MMQYBTMXSA-O. The full InChI is InChI=1S/C14H28N2O/c1-7-16(8-2,9-3)11-14(13(5)17)10-12(4)15-6/h10,15H,7-9,11H2,1-6H3/p+1/b12-10-,14-13-.
What are the key properties of triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium?
triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium has a molecular weight of 241.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium is sourced from PubChem (CID 146259255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).