2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine

C15H23N5 — CID 62531179

IUPAC2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H23N5/c1-4-13(11-16-12(2)3)10-15-17-18-19-20(15)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3
InChIKeyZHGCGGOPYGDFOK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds7

About 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine

2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 62531179) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID62531179
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H23N5/c1-4-13(11-16-12(2)3)10-15-17-18-19-20(15)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3
InChIKeyZHGCGGOPYGDFOK-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
5-[2-(chloromethyl)butyl]-1-phenyltetrazole
CID 66035227
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62530302
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine (CID 62531179) is 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is ZHGCGGOPYGDFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-13(11-16-12(2)3)10-15-17-18-19-20(15)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3.
What are the key properties of 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine?
2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62531179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).