4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine

C14H19N5 — CID 106387297

IUPAC4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1C1(c2ccccc2)CC1
InChIInChI=1S/C14H19N5/c15-10-4-5-11-19-13(16-17-18-19)14(8-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeyQLQUUCQPHRDUNA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.49
Rot. Bonds6

About 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine

4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine (PubChem CID 106387297) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine
PubChem CID106387297
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1C1(c2ccccc2)CC1
InChIInChI=1S/C14H19N5/c15-10-4-5-11-19-13(16-17-18-19)14(8-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeyQLQUUCQPHRDUNA-UHFFFAOYSA-N
XLogP1.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(1-phenylcyclopropyl)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

2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine
CID 63080778
2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine
CID 63080580
2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine
CID 63081707
2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid
CID 80541633
2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]acetamide
CID 58842942
4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387303
4-[5-(2,3-dihydro-1H-inden-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387163
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
3-[5-(2-methyloxan-2-yl)tetrazol-1-yl]propan-1-amine
CID 80680613
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine (CID 106387297) is 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1C1(c2ccccc2)CC1.
What is the InChIKey of 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is QLQUUCQPHRDUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-10-4-5-11-19-13(16-17-18-19)14(8-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2.
What are the key properties of 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine?
4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 106387297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).