3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine

C14H21N5 — CID 84758929

IUPAC3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCC(C)(C)c1ccc(-c2nnnn2CCCN)cc1
InChIInChI=1S/C14H21N5/c1-14(2,3)12-7-5-11(6-8-12)13-16-17-18-19(13)10-4-9-15/h5-8H,4,9-10,15H2,1-3H3
InChIKeyJPPRTOTUNSDJJU-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.99
Rot. Bonds4

About 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine

3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 84758929) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
PubChem CID84758929
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCC(C)(C)c1ccc(-c2nnnn2CCCN)cc1
InChIInChI=1S/C14H21N5/c1-14(2,3)12-7-5-11(6-8-12)13-16-17-18-19(13)10-4-9-15/h5-8H,4,9-10,15H2,1-3H3
InChIKeyJPPRTOTUNSDJJU-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
CID 82228458
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine (CID 84758929) is 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine is CC(C)(C)c1ccc(-c2nnnn2CCCN)cc1.
What is the InChIKey of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is JPPRTOTUNSDJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,3)12-7-5-11(6-8-12)13-16-17-18-19(13)10-4-9-15/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 84758929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).