4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine

C10H19N5O — CID 106387303

IUPAC4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine
SMILESCC1(c2nnnn2CCCCN)CCCO1
InChIInChI=1S/C10H19N5O/c1-10(5-4-8-16-10)9-12-13-14-15(9)7-3-2-6-11/h2-8,11H2,1H3
InChIKeyNRBUXNFQBMBIQK-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.44
Rot. Bonds5

About 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine

4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine (PubChem CID 106387303) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine
PubChem CID106387303
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine
SMILESCC1(c2nnnn2CCCCN)CCCO1
InChIInChI=1S/C10H19N5O/c1-10(5-4-8-16-10)9-12-13-14-15(9)7-3-2-6-11/h2-8,11H2,1H3
InChIKeyNRBUXNFQBMBIQK-UHFFFAOYSA-N
XLogP0.44
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.44
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 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine (CID 106387303) is 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine is CC1(c2nnnn2CCCCN)CCCO1.
What is the InChIKey of 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine?
The InChIKey is NRBUXNFQBMBIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(5-4-8-16-10)9-12-13-14-15(9)7-3-2-6-11/h2-8,11H2,1H3.
What are the key properties of 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine?
4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 106387303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).