N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine

C9H19N5S — CID 103086230

IUPACN-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CCCSC
InChIInChI=1S/C9H19N5S/c1-4-10-8(2)9-11-12-13-14(9)6-5-7-15-3/h8,10H,4-7H2,1-3H3
InChIKeyWOOAHUNYEAMXNJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.10
Rot. Bonds7

About N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine (PubChem CID 103086230) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
PubChem CID103086230
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC NameN-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CCCSC
InChIInChI=1S/C9H19N5S/c1-4-10-8(2)9-11-12-13-14(9)6-5-7-15-3/h8,10H,4-7H2,1-3H3
InChIKeyWOOAHUNYEAMXNJ-UHFFFAOYSA-N
XLogP1.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.10
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

1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
1-[1-(4-methylsulfanylbutyl)tetrazol-5-yl]ethanamine
CID 103086948
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
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
N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine (CID 103086230) is N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1CCCSC.
What is the InChIKey of N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine?
The InChIKey is WOOAHUNYEAMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-4-10-8(2)9-11-12-13-14(9)6-5-7-15-3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine has a molecular weight of 229.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).