4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine

C14H19N5 — CID 106387163

IUPAC4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1C1Cc2ccccc2C1
InChIInChI=1S/C14H19N5/c15-7-3-4-8-19-14(16-17-18-19)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10,15H2
InChIKeyDRTWTJXBSCZDDA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.29
Rot. Bonds5

About 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine

4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine (PubChem CID 106387163) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine
PubChem CID106387163
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1C1Cc2ccccc2C1
InChIInChI=1S/C14H19N5/c15-7-3-4-8-19-14(16-17-18-19)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10,15H2
InChIKeyDRTWTJXBSCZDDA-UHFFFAOYSA-N
XLogP1.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]butan-1-amine
CID 114182264
4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine
CID 114182246
4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine
CID 106387297
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
CID 107127904
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
4-(1,3-dihydroisoindol-2-yl)butan-1-amine
CID 62205174
4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975
4-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butan-1-amine
CID 84759025
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine (CID 106387163) is 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1C1Cc2ccccc2C1.
What is the InChIKey of 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine?
The InChIKey is DRTWTJXBSCZDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-7-3-4-8-19-14(16-17-18-19)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10,15H2.
What are the key properties of 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine?
4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 106387163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).