N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine

C11H22N4O2 — CID 103179434

IUPACN-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine
SMILESCOCCCOCCNCCCn1ccnn1
InChIInChI=1S/C11H22N4O2/c1-16-9-3-10-17-11-6-12-4-2-7-15-8-5-13-14-15/h5,8,12H,2-4,6-7,9-11H2,1H3
InChIKeyRAIUKZAMVZYCRR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.31
Rot. Bonds11

About N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine

N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine (PubChem CID 103179434) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine
PubChem CID103179434
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine
SMILESCOCCCOCCNCCCn1ccnn1
InChIInChI=1S/C11H22N4O2/c1-16-9-3-10-17-11-6-12-4-2-7-15-8-5-13-14-15/h5,8,12H,2-4,6-7,9-11H2,1H3
InChIKeyRAIUKZAMVZYCRR-UHFFFAOYSA-N
XLogP0.31
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)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

2-[(1H-1,2,3-triazol-1-yl)methyl]morpholine dihydrochloride
CID 126817029
2-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104444740
3-(triazol-1-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 104444880
3-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 104445099
3-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 104445113
2-[(1H-1,2,3-Triazol-1-yl)methyl]morpholine
CID 18329925
2-(Triazol-1-yl)morpholine
CID 69572380
2-[2-(1H-1,2,3-Triazol-1-yl)ethoxy]ethan-1-amine
CID 86262487
2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081
N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine
CID 153319100
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811
1-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]triazole
CID 154016426

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine (CID 103179434) is N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine is COCCCOCCNCCCn1ccnn1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine?
The InChIKey is RAIUKZAMVZYCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-16-9-3-10-17-11-6-12-4-2-7-15-8-5-13-14-15/h5,8,12H,2-4,6-7,9-11H2,1H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine?
N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 0.31, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine is sourced from PubChem (CID 103179434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).