N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine

C18H21N5 — CID 1431154

IUPACN-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nnnn1Cc1ccccc1
InChIInChI=1S/C18H21N5/c1-2-22(13-16-9-5-3-6-10-16)15-18-19-20-21-23(18)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyYAUQKKIMIVROIS-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.74
Rot. Bonds7

About N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine

N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine (PubChem CID 1431154) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine
PubChem CID1431154
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nnnn1Cc1ccccc1
InChIInChI=1S/C18H21N5/c1-2-22(13-16-9-5-3-6-10-16)15-18-19-20-21-23(18)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyYAUQKKIMIVROIS-UHFFFAOYSA-N
XLogP2.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
5-(2,3-Dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole
CID 11687741
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159172
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine (CID 1431154) is N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1nnnn1Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is YAUQKKIMIVROIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-22(13-16-9-5-3-6-10-16)15-18-19-20-21-23(18)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine?
N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 307.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 1431154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).