N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine

C16H19N5O — CID 834689

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine
SMILESCCOc1ccc2ccccc2c1CNc1nnnn1CC
InChIInChI=1S/C16H19N5O/c1-3-21-16(18-19-20-21)17-11-14-13-8-6-5-7-12(13)9-10-15(14)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,18,20)
InChIKeySJWBENCOSDXLRK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.86
Rot. Bonds6

About N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine

N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine (PubChem CID 834689) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine
PubChem CID834689
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine
SMILESCCOc1ccc2ccccc2c1CNc1nnnn1CC
InChIInChI=1S/C16H19N5O/c1-3-21-16(18-19-20-21)17-11-14-13-8-6-5-7-12(13)9-10-15(14)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,18,20)
InChIKeySJWBENCOSDXLRK-UHFFFAOYSA-N
XLogP2.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(2-methoxy-1-naphthyl)methyl]-1H-tetrazol-5-amine
CID 834710
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725748
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N-({2-[(2-fluorobenzyl)oxy]-1-naphthyl}methyl)-2H-tetrazol-5-amine
CID 834196
N-({2-[(4-fluorobenzyl)oxy]naphthalen-1-yl}methyl)-2H-tetrazol-5-amine
CID 834197
N-{[2-(allyloxy)-1-naphthyl]methyl}-1H-1,2,4-triazol-3-amine
CID 2215472
7-(2,5-Dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3241806
N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
CID 834540
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
CID 834713
N-{2-[(4-fluorobenzyl)oxy]benzyl}-1-propyl-1H-tetrazol-5-amine
CID 1249569

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine (CID 834689) is N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine is CCOc1ccc2ccccc2c1CNc1nnnn1CC.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine?
The InChIKey is SJWBENCOSDXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-21-16(18-19-20-21)17-11-14-13-8-6-5-7-12(13)9-10-15(14)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,18,20).
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine?
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine has a molecular weight of 297.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 834689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).