3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine

C14H21N5 — CID 107053280

IUPAC3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1nnn(C)n1)c1ccccc1
InChIInChI=1S/C14H21N5/c1-3-9-15-11-13(12-7-5-4-6-8-12)10-14-16-18-19(2)17-14/h4-8,13,15H,3,9-11H2,1-2H3
InChIKeyQDFRKACRJRYUGO-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.54
Rot. Bonds7

About 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine

3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 107053280) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
PubChem CID107053280
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1nnn(C)n1)c1ccccc1
InChIInChI=1S/C14H21N5/c1-3-9-15-11-13(12-7-5-4-6-8-12)10-14-16-18-19(2)17-14/h4-8,13,15H,3,9-11H2,1-2H3
InChIKeyQDFRKACRJRYUGO-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053428
2-[(2-methyltetrazol-5-yl)methyl]-N-propylbutan-1-amine
CID 107052925
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 107054007
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
CID 107053332
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine (CID 107053280) is 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine is CCCNCC(Cc1nnn(C)n1)c1ccccc1.
What is the InChIKey of 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is QDFRKACRJRYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-9-15-11-13(12-7-5-4-6-8-12)10-14-16-18-19(2)17-14/h4-8,13,15H,3,9-11H2,1-2H3.
What are the key properties of 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine?
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 107053280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).