N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine

C9H17N5O — CID 63719015

IUPACN-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCCOC1CCCC1
InChIInChI=1S/C9H17N5O/c1-14-9(11-12-13-14)10-6-7-15-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11,13)
InChIKeyFYSOYFRJSXYADJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.58
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine

N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine (PubChem CID 63719015) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine
PubChem CID63719015
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCCOC1CCCC1
InChIInChI=1S/C9H17N5O/c1-14-9(11-12-13-14)10-6-7-15-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11,13)
InChIKeyFYSOYFRJSXYADJ-UHFFFAOYSA-N
XLogP0.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.58
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-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine (CID 63719015) is N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine is Cn1nnnc1NCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine?
The InChIKey is FYSOYFRJSXYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-9(11-12-13-14)10-6-7-15-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11,13).
What are the key properties of N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine?
N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine has a molecular weight of 211.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 63719015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).