1-dodecyltetrazol-5-amine

C13H27N5 — CID 10515057

IUPAC1-dodecyltetrazol-5-amine
SMILESCCCCCCCCCCCCn1nnnc1N
InChIInChI=1S/C13H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(14)15-16-17-18/h2-12H2,1H3,(H2,14,15,17)
InChIKeyPLCKCTIXVOHDAX-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.18
Rot. Bonds11

About 1-dodecyltetrazol-5-amine

1-dodecyltetrazol-5-amine (PubChem CID 10515057) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-dodecyltetrazol-5-amine.

Molecular Properties

Compound Name1-dodecyltetrazol-5-amine
PubChem CID10515057
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name1-dodecyltetrazol-5-amine
SMILESCCCCCCCCCCCCn1nnnc1N
InChIInChI=1S/C13H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(14)15-16-17-18/h2-12H2,1H3,(H2,14,15,17)
InChIKeyPLCKCTIXVOHDAX-UHFFFAOYSA-N
XLogP3.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-dodecyltetrazol-5-amine?
The IUPAC name of 1-dodecyltetrazol-5-amine (CID 10515057) is 1-dodecyltetrazol-5-amine.
What is the SMILES notation for 1-dodecyltetrazol-5-amine?
The canonical SMILES for 1-dodecyltetrazol-5-amine is CCCCCCCCCCCCn1nnnc1N.
What is the InChIKey of 1-dodecyltetrazol-5-amine?
The InChIKey is PLCKCTIXVOHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(14)15-16-17-18/h2-12H2,1H3,(H2,14,15,17).
What are the key properties of 1-dodecyltetrazol-5-amine?
1-dodecyltetrazol-5-amine has a molecular weight of 253.39 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyltetrazol-5-amine is sourced from PubChem (CID 10515057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).