2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine

C15H23N5 — CID 79621138

IUPAC2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H23N5/c1-4-10-16-11-15(2,3)12-20-18-14(17-19-20)13-8-6-5-7-9-13/h5-9,16H,4,10-12H2,1-3H3
InChIKeyLSZUMYRMYMXDAF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds7

About 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine (PubChem CID 79621138) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine
PubChem CID79621138
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H23N5/c1-4-10-16-11-15(2,3)12-20-18-14(17-19-20)13-8-6-5-7-9-13/h5-9,16H,4,10-12H2,1-3H3
InChIKeyLSZUMYRMYMXDAF-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine (CID 79621138) is 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is LSZUMYRMYMXDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-10-16-11-15(2,3)12-20-18-14(17-19-20)13-8-6-5-7-9-13/h5-9,16H,4,10-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79621138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).