N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine

C15H23N5 — CID 62737958

IUPACN-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1c(CC)cccc1CC
InChIInChI=1S/C15H23N5/c1-4-10-16-11-14-17-18-19-20(14)15-12(5-2)8-7-9-13(15)6-3/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeyKBLYXWWCJOJFRM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.29
Rot. Bonds7

About N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62737958) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62737958
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1c(CC)cccc1CC
InChIInChI=1S/C15H23N5/c1-4-10-16-11-14-17-18-19-20(14)15-12(5-2)8-7-9-13(15)6-3/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeyKBLYXWWCJOJFRM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-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

N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
N-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737780
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 114261278
N-[[1-(4-chloro-2-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 107639450
N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109484
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62737745

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62737958) is N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1-c1c(CC)cccc1CC.
What is the InChIKey of N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is KBLYXWWCJOJFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-10-16-11-14-17-18-19-20(14)15-12(5-2)8-7-9-13(15)6-3/h7-9,16H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).