2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine

C14H21N5 — CID 112519176

IUPAC2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine
SMILESCCC(C)c1ccc(Cn2nnnc2CCN)cc1
InChIInChI=1S/C14H21N5/c1-3-11(2)13-6-4-12(5-7-13)10-19-14(8-9-15)16-17-18-19/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyUCVSZAFMPNJZIA-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine

2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine (PubChem CID 112519176) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine
PubChem CID112519176
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine
SMILESCCC(C)c1ccc(Cn2nnnc2CCN)cc1
InChIInChI=1S/C14H21N5/c1-3-11(2)13-6-4-12(5-7-13)10-19-14(8-9-15)16-17-18-19/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyUCVSZAFMPNJZIA-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
CID 82228424
[1-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518468
[1-(2-phenylpropyl)tetrazol-5-yl]methanamine
CID 104592309
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole
CID 172619601
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
4-[[5-(thiophen-2-ylmethyl)tetrazol-1-yl]methyl]aniline
CID 84759684
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
(4-butan-2-ylphenyl)methyl-(chloromethyl)-dimethylazanium
CID 20584038
N'-[(4-butan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 115195281
2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]ethanamine
CID 82228376
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine (CID 112519176) is 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine is CCC(C)c1ccc(Cn2nnnc2CCN)cc1.
What is the InChIKey of 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine?
The InChIKey is UCVSZAFMPNJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-11(2)13-6-4-12(5-7-13)10-19-14(8-9-15)16-17-18-19/h4-7,11H,3,8-10,15H2,1-2H3.
What are the key properties of 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine?
2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 112519176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).