N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine

C14H20N4O — CID 62448559

IUPACN-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(Cn2nnc3ccccc32)O1
InChIInChI=1S/C14H20N4O/c1-2-15-9-11-7-8-12(19-11)10-18-14-6-4-3-5-13(14)16-17-18/h3-6,11-12,15H,2,7-10H2,1H3
InChIKeyGZAURTGOZJXRET-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.59
Rot. Bonds5

About N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine

N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 62448559) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID62448559
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(Cn2nnc3ccccc32)O1
InChIInChI=1S/C14H20N4O/c1-2-15-9-11-7-8-12(19-11)10-18-14-6-4-3-5-13(14)16-17-18/h3-6,11-12,15H,2,7-10H2,1H3
InChIKeyGZAURTGOZJXRET-UHFFFAOYSA-N
XLogP1.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine (CID 62448559) is N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(Cn2nnc3ccccc32)O1.
What is the InChIKey of N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is GZAURTGOZJXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-15-9-11-7-8-12(19-11)10-18-14-6-4-3-5-13(14)16-17-18/h3-6,11-12,15H,2,7-10H2,1H3.
What are the key properties of N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62448559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).