N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine

C10H21N5O — CID 62735383

IUPACN-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCn1nnnc1CNCC(C)C
InChIInChI=1S/C10H21N5O/c1-4-16-6-5-15-10(12-13-14-15)8-11-7-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyAQCUDUPENXDFFG-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.46
Rot. Bonds8

About N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62735383) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62735383
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCn1nnnc1CNCC(C)C
InChIInChI=1S/C10H21N5O/c1-4-16-6-5-15-10(12-13-14-15)8-11-7-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyAQCUDUPENXDFFG-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
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-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62735383) is N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is CCOCCn1nnnc1CNCC(C)C.
What is the InChIKey of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AQCUDUPENXDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-4-16-6-5-15-10(12-13-14-15)8-11-7-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62735383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).