3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine

C15H24N6 — CID 82228458

IUPAC3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C15H24N6/c1-3-20(4-2)10-5-11-21-15(17-18-19-21)14-8-6-13(12-16)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyYUJRTIMQCUVPAU-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.53
Rot. Bonds8

About 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine

3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 82228458) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
PubChem CID82228458
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C15H24N6/c1-3-20(4-2)10-5-11-21-15(17-18-19-21)14-8-6-13(12-16)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyYUJRTIMQCUVPAU-UHFFFAOYSA-N
XLogP1.53
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
3-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]aniline
CID 82228486
5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
CID 82228499
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine (CID 82228458) is 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCn1nnnc1-c1ccc(CN)cc1.
What is the InChIKey of 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is YUJRTIMQCUVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-20(4-2)10-5-11-21-15(17-18-19-21)14-8-6-13(12-16)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3.
What are the key properties of 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine?
3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 82228458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).