2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide

C13H25N5O — CID 135200315

IUPAC2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide
SMILESCCCCCCCC(C)C(=O)NCCn1cnnn1
InChIInChI=1S/C13H25N5O/c1-3-4-5-6-7-8-12(2)13(19)14-9-10-18-11-15-16-17-18/h11-12H,3-10H2,1-2H3,(H,14,19)
InChIKeyGKQGOOBJPXPOJN-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.79
Rot. Bonds10

About 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide

2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide (PubChem CID 135200315) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide
PubChem CID135200315
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide
SMILESCCCCCCCC(C)C(=O)NCCn1cnnn1
InChIInChI=1S/C13H25N5O/c1-3-4-5-6-7-8-12(2)13(19)14-9-10-18-11-15-16-17-18/h11-12H,3-10H2,1-2H3,(H,14,19)
InChIKeyGKQGOOBJPXPOJN-UHFFFAOYSA-N
XLogP1.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.79
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 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide?
The IUPAC name of 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide (CID 135200315) is 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide.
What is the SMILES notation for 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide?
The canonical SMILES for 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide is CCCCCCCC(C)C(=O)NCCn1cnnn1.
What is the InChIKey of 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide?
The InChIKey is GKQGOOBJPXPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-4-5-6-7-8-12(2)13(19)14-9-10-18-11-15-16-17-18/h11-12H,3-10H2,1-2H3,(H,14,19).
What are the key properties of 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide?
2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide has a molecular weight of 267.38 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide is sourced from PubChem (CID 135200315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).