N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine

C14H29N5O2 — CID 156861020

IUPACN-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCn1nncc1CCNC
InChIInChI=1S/C14H29N5O2/c1-3-5-16-7-9-20-11-12-21-10-8-19-14(4-6-15-2)13-17-18-19/h13,15-16H,3-12H2,1-2H3
InChIKeyMZGGBCFPISPIML-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.07
Rot. Bonds14

About N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine

N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 156861020) has the molecular formula C14H29N5O2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID156861020
Molecular FormulaC14H29N5O2
Molecular Weight299.42 g/mol
Exact Mass299.23
IUPAC NameN-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCn1nncc1CCNC
InChIInChI=1S/C14H29N5O2/c1-3-5-16-7-9-20-11-12-21-10-8-19-14(4-6-15-2)13-17-18-19/h13,15-16H,3-12H2,1-2H3
InChIKeyMZGGBCFPISPIML-UHFFFAOYSA-N
XLogP0.07
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine (CID 156861020) is N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCCn1nncc1CCNC.
What is the InChIKey of N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is MZGGBCFPISPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O2/c1-3-5-16-7-9-20-11-12-21-10-8-19-14(4-6-15-2)13-17-18-19/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 0.07, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 156861020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).