4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine

C12H21N5 — CID 114182246

IUPAC4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1C1CC2CCC1C2
InChIInChI=1S/C12H21N5/c13-5-1-2-6-17-12(14-15-16-17)11-8-9-3-4-10(11)7-9/h9-11H,1-8,13H2
InChIKeyANOLZFVZODKYCV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds5

About 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine

4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182246) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182246
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1C1CC2CCC1C2
InChIInChI=1S/C12H21N5/c13-5-1-2-6-17-12(14-15-16-17)11-8-9-3-4-10(11)7-9/h9-11H,1-8,13H2
InChIKeyANOLZFVZODKYCV-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.32
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

3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 113308390
4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387163
[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593193
3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine
CID 79088608
3-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)-4-methyl-1,2,4-triazole
CID 115399854
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113383370
4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 106387160
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
4-(5-cyclopentyltetrazol-1-yl)butanoic acid
CID 66045339
ethyl 1-(2-bicyclo[2.2.1]heptanyl)-5-methyltriazole-4-carboxylate
CID 114246227
[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040056

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine (CID 114182246) is 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1C1CC2CCC1C2.
What is the InChIKey of 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is ANOLZFVZODKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c13-5-1-2-6-17-12(14-15-16-17)11-8-9-3-4-10(11)7-9/h9-11H,1-8,13H2.
What are the key properties of 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine?
4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).