1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine

C10H21N5O — CID 103085441

IUPAC1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1CCCOCC
InChIInChI=1S/C10H21N5O/c1-4-11-9(3)10-12-13-14-15(10)7-6-8-16-5-2/h9,11H,4-8H2,1-3H3
InChIKeyHZOGRPDVNAQMCQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.77
Rot. Bonds8

About 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine

1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103085441) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID103085441
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1CCCOCC
InChIInChI=1S/C10H21N5O/c1-4-11-9(3)10-12-13-14-15(10)7-6-8-16-5-2/h9,11H,4-8H2,1-3H3
InChIKeyHZOGRPDVNAQMCQ-UHFFFAOYSA-N
XLogP0.77
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-1-(3-ethoxypropyl)tetrazole
CID 103084402
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086274
N-ethyl-1-[1-(2-ethylbutyl)tetrazol-5-yl]ethanamine
CID 103087026
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine (CID 103085441) is 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1CCCOCC.
What is the InChIKey of 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is HZOGRPDVNAQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-4-11-9(3)10-12-13-14-15(10)7-6-8-16-5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 227.31 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).