N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine

C11H23N5O — CID 55109304

IUPACN-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCOCCC(C)C
InChIInChI=1S/C11H23N5O/c1-4-12-9-11-13-14-15-16(11)6-8-17-7-5-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyORYWKKNLGOWXAL-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.85
Rot. Bonds9

About N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 55109304) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID55109304
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCOCCC(C)C
InChIInChI=1S/C11H23N5O/c1-4-12-9-11-13-14-15-16(11)6-8-17-7-5-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyORYWKKNLGOWXAL-UHFFFAOYSA-N
XLogP0.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 55109304) is N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1CCOCCC(C)C.
What is the InChIKey of N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is ORYWKKNLGOWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-4-12-9-11-13-14-15-16(11)6-8-17-7-5-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55109304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).