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

C11H23N5 — CID 103087021

IUPAC1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1CCC(C)(C)C
InChIInChI=1S/C11H23N5/c1-6-12-9(2)10-13-14-15-16(10)8-7-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyZDZAFKRMEMLGRZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.78
Rot. Bonds5

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

1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103087021) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID103087021
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1CCC(C)(C)C
InChIInChI=1S/C11H23N5/c1-6-12-9(2)10-13-14-15-16(10)8-7-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyZDZAFKRMEMLGRZ-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
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-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine
CID 114125135
N-ethyl-1-[1-[2-(4-nitrophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085672

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine (CID 103087021) is 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1CCC(C)(C)C.
What is the InChIKey of 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is ZDZAFKRMEMLGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-6-12-9(2)10-13-14-15-16(10)8-7-11(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103087021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).