1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine

C10H21N5 — CID 103086687

IUPAC1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
SMILESCC(C)CCCCn1nnnc1C(C)N
InChIInChI=1S/C10H21N5/c1-8(2)6-4-5-7-15-10(9(3)11)12-13-14-15/h8-9H,4-7,11H2,1-3H3
InChIKeyGBSPDONPHAPYHN-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.52
Rot. Bonds6

About 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine

1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine (PubChem CID 103086687) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
PubChem CID103086687
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
SMILESCC(C)CCCCn1nnnc1C(C)N
InChIInChI=1S/C10H21N5/c1-8(2)6-4-5-7-15-10(9(3)11)12-13-14-15/h8-9H,4-7,11H2,1-3H3
InChIKeyGBSPDONPHAPYHN-UHFFFAOYSA-N
XLogP1.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine (CID 103086687) is 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine is CC(C)CCCCn1nnnc1C(C)N.
What is the InChIKey of 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine?
The InChIKey is GBSPDONPHAPYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-8(2)6-4-5-7-15-10(9(3)11)12-13-14-15/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine?
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).