2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine

C16H32N4O3 — CID 138728364

IUPAC2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCC(C)CNCCOCCOCCn1cc(COC(C)C)nn1
InChIInChI=1S/C16H32N4O3/c1-14(2)11-17-5-7-21-9-10-22-8-6-20-12-16(18-19-20)13-23-15(3)4/h12,14-15,17H,5-11,13H2,1-4H3
InChIKeyUVCLQOVVKLNVTQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.48
Rot. Bonds14

About 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine

2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 138728364) has the molecular formula C16H32N4O3 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID138728364
Molecular FormulaC16H32N4O3
Molecular Weight328.46 g/mol
Exact Mass328.25
IUPAC Name2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCC(C)CNCCOCCOCCn1cc(COC(C)C)nn1
InChIInChI=1S/C16H32N4O3/c1-14(2)11-17-5-7-21-9-10-22-8-6-20-12-16(18-19-20)13-23-15(3)4/h12,14-15,17H,5-11,13H2,1-4H3
InChIKeyUVCLQOVVKLNVTQ-UHFFFAOYSA-N
XLogP1.48
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
1-Propan-2-yl-4-(propan-2-yloxymethyl)triazole
CID 57577022
2-[[1-[2-[2-(Methylamino)ethoxy]ethyl]triazol-4-yl]methoxy]ethanamine
CID 57765146
N-[2-[2-[2-[4-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propanamide
CID 57871931
N-[2-[2-[2-[4-[[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propanamide
CID 57871938
N-[2-[2-[2-[[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]propanamide
CID 57871941
1-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
CID 58559417
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1-[2-[2-[(Z)-prop-1-enyl]peroxyethoxy]ethyl]triazole
CID 58559424
1-Butyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
CID 58559428
1-Ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
CID 58559443
N-[(1-ethyltriazol-4-yl)methoxymethyl]propan-1-amine
CID 68172117
2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine
CID 70934799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine (CID 138728364) is 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine is CC(C)CNCCOCCOCCn1cc(COC(C)C)nn1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is UVCLQOVVKLNVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3/c1-14(2)11-17-5-7-21-9-10-22-8-6-20-12-16(18-19-20)13-23-15(3)4/h12,14-15,17H,5-11,13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 1.48, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[4-(propan-2-yloxymethyl)triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 138728364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).