[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine

C13H19N5 — CID 112518474

IUPAC[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
SMILESCCCCc1ccc(Cn2nnc(CN)n2)cc1
InChIInChI=1S/C13H19N5/c1-2-3-4-11-5-7-12(8-6-11)10-18-16-13(9-14)15-17-18/h5-8H,2-4,9-10,14H2,1H3
InChIKeyQBMKXJBEWIIGEY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.52
Rot. Bonds6

About [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine

[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine (PubChem CID 112518474) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
PubChem CID112518474
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
SMILESCCCCc1ccc(Cn2nnc(CN)n2)cc1
InChIInChI=1S/C13H19N5/c1-2-3-4-11-5-7-12(8-6-11)10-18-16-13(9-14)15-17-18/h5-8H,2-4,9-10,14H2,1H3
InChIKeyQBMKXJBEWIIGEY-UHFFFAOYSA-N
XLogP1.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518468
2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
CID 172619544
[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine
CID 83637113
2-[(4-ethenylphenyl)methyl]-5-[9-[2-[(4-ethenylphenyl)methyl]tetrazol-5-yl]nonyl]tetrazole
CID 172619655
[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine
CID 83531293
2-butyl-5-propyltetrazole
CID 69034353
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
1-(4-butylphenyl)-4-(chloromethyl)triazole
CID 55066853
2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
[3,5-bis(4-nonylphenyl)-1,2,4-triazol-4-yl]methanamine
CID 126601316
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495

Frequently Asked Questions

What is the IUPAC name of [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine?
The IUPAC name of [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine (CID 112518474) is [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine is CCCCc1ccc(Cn2nnc(CN)n2)cc1.
What is the InChIKey of [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine?
The InChIKey is QBMKXJBEWIIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-3-4-11-5-7-12(8-6-11)10-18-16-13(9-14)15-17-18/h5-8H,2-4,9-10,14H2,1H3.
What are the key properties of [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine?
[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 112518474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).