N-hexyl-4-(5-methyltetrazol-1-yl)butanamide

C12H23N5O — CID 13103344

IUPACN-hexyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCCCCCCNC(=O)CCCn1nnnc1C
InChIInChI=1S/C12H23N5O/c1-3-4-5-6-9-13-12(18)8-7-10-17-11(2)14-15-16-17/h3-10H2,1-2H3,(H,13,18)
InChIKeyAUGQLLVVQCJABS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.46
Rot. Bonds9

About N-hexyl-4-(5-methyltetrazol-1-yl)butanamide

N-hexyl-4-(5-methyltetrazol-1-yl)butanamide (PubChem CID 13103344) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-hexyl-4-(5-methyltetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-hexyl-4-(5-methyltetrazol-1-yl)butanamide
PubChem CID13103344
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-hexyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCCCCCCNC(=O)CCCn1nnnc1C
InChIInChI=1S/C12H23N5O/c1-3-4-5-6-9-13-12(18)8-7-10-17-11(2)14-15-16-17/h3-10H2,1-2H3,(H,13,18)
InChIKeyAUGQLLVVQCJABS-UHFFFAOYSA-N
XLogP1.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.46
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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Related Compounds

1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-
CID 3061971
1H-Tetrazole-1-butanamide, N-cyclohexyl-N-ethyl-5-methyl-
CID 3061972
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)isobutyramide
CID 41568266
13-Propan-2-yl-1,8,12,15,16,17-hexazabicyclo[12.3.0]heptadeca-14,16-dien-7-one
CID 135034638
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)acetamide
CID 41568262
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)propionamide
CID 41568263
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)butyramide
CID 41568264
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)-3-methylbutanamide
CID 41568273
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)cyclopropanecarboxamide
CID 44007516
N-butyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103341
4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
CID 13103342
N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103343

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(5-methyltetrazol-1-yl)butanamide?
The IUPAC name of N-hexyl-4-(5-methyltetrazol-1-yl)butanamide (CID 13103344) is N-hexyl-4-(5-methyltetrazol-1-yl)butanamide.
What is the SMILES notation for N-hexyl-4-(5-methyltetrazol-1-yl)butanamide?
The canonical SMILES for N-hexyl-4-(5-methyltetrazol-1-yl)butanamide is CCCCCCNC(=O)CCCn1nnnc1C.
What is the InChIKey of N-hexyl-4-(5-methyltetrazol-1-yl)butanamide?
The InChIKey is AUGQLLVVQCJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-4-5-6-9-13-12(18)8-7-10-17-11(2)14-15-16-17/h3-10H2,1-2H3,(H,13,18).
What are the key properties of N-hexyl-4-(5-methyltetrazol-1-yl)butanamide?
N-hexyl-4-(5-methyltetrazol-1-yl)butanamide has a molecular weight of 253.35 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(5-methyltetrazol-1-yl)butanamide is sourced from PubChem (CID 13103344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).