N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine

C14H27N5O — CID 62429466

IUPACN-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCNCc1cn(CCN(CC)CC2CCCO2)nn1
InChIInChI=1S/C14H27N5O/c1-3-15-10-13-11-19(17-16-13)8-7-18(4-2)12-14-6-5-9-20-14/h11,14-15H,3-10,12H2,1-2H3
InChIKeyDFNFLKUWFRWTNI-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds9

About N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine

N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62429466) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62429466
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCNCc1cn(CCN(CC)CC2CCCO2)nn1
InChIInChI=1S/C14H27N5O/c1-3-15-10-13-11-19(17-16-13)8-7-18(4-2)12-14-6-5-9-20-14/h11,14-15H,3-10,12H2,1-2H3
InChIKeyDFNFLKUWFRWTNI-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine (CID 62429466) is N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine is CCNCc1cn(CCN(CC)CC2CCCO2)nn1.
What is the InChIKey of N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DFNFLKUWFRWTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-3-15-10-13-11-19(17-16-13)8-7-18(4-2)12-14-6-5-9-20-14/h11,14-15H,3-10,12H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62429466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).