N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C15H28N4O — CID 105038886

IUPACN-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1C(C)OC(C)C1C
InChIInChI=1S/C15H28N4O/c1-6-8-19-13(9-17-18-19)15(16-7-2)14-10(3)11(4)20-12(14)5/h9-12,14-16H,6-8H2,1-5H3
InChIKeyZQPZRBHHFGNSOM-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.40
Rot. Bonds6

About N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 105038886) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID105038886
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1C(C)OC(C)C1C
InChIInChI=1S/C15H28N4O/c1-6-8-19-13(9-17-18-19)15(16-7-2)14-10(3)11(4)20-12(14)5/h9-12,14-16H,6-8H2,1-5H3
InChIKeyZQPZRBHHFGNSOM-UHFFFAOYSA-N
XLogP2.40
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine 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 N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 105038886) is N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCCn1nncc1C(NCC)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is ZQPZRBHHFGNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-19-13(9-17-18-19)15(16-7-2)14-10(3)11(4)20-12(14)5/h9-12,14-16H,6-8H2,1-5H3.
What are the key properties of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105038886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).