triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium

C19H40NO+ — CID 4226768

IUPACtriethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium
SMILESCC[N+](CC)(CC)CCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C19H40NO/c1-7-20(8-2,9-3)13-10-14-21-19-15-17(6)11-12-18(19)16(4)5/h16-19H,7-15H2,1-6H3/q+1
InChIKeyXIBXXUYZWIKLGL-UHFFFAOYSA-N
MW298.53 g/mol
LogP4.73
Rot. Bonds9

About triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium

triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium (PubChem CID 4226768) has the molecular formula C19H40NO+ and a molecular weight of 298.53 g/mol. Its IUPAC name is triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium
PubChem CID4226768
Molecular FormulaC19H40NO+
Molecular Weight298.53 g/mol
Exact Mass298.31
IUPAC Nametriethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium
SMILESCC[N+](CC)(CC)CCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C19H40NO/c1-7-20(8-2,9-3)13-10-14-21-19-15-17(6)11-12-18(19)16(4)5/h16-19H,7-15H2,1-6H3/q+1
InChIKeyXIBXXUYZWIKLGL-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium?
The IUPAC name of triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium (CID 4226768) is triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium.
What is the SMILES notation for triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium?
The canonical SMILES for triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium is CC[N+](CC)(CC)CCCOC1CC(C)CCC1C(C)C.
What is the InChIKey of triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium?
The InChIKey is XIBXXUYZWIKLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40NO/c1-7-20(8-2,9-3)13-10-14-21-19-15-17(6)11-12-18(19)16(4)5/h16-19H,7-15H2,1-6H3/q+1.
What are the key properties of triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium?
triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium has a molecular weight of 298.53 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]azanium is sourced from PubChem (CID 4226768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).