N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine

C26H29N5 — CID 3115374

IUPACN,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29N5/c1-20-12-11-13-21(2)24(20)31-25(27-28-29-31)26(3,4)30(18-22-14-7-5-8-15-22)19-23-16-9-6-10-17-23/h5-17H,18-19H2,1-4H3
InChIKeyGXSUAOYEXRRLNZ-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.22
Rot. Bonds7

About N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine

N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine (PubChem CID 3115374) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine
PubChem CID3115374
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC NameN,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29N5/c1-20-12-11-13-21(2)24(20)31-25(27-28-29-31)26(3,4)30(18-22-14-7-5-8-15-22)19-23-16-9-6-10-17-23/h5-17H,18-19H2,1-4H3
InChIKeyGXSUAOYEXRRLNZ-UHFFFAOYSA-N
XLogP5.22
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine?
The IUPAC name of N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine (CID 3115374) is N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine.
What is the SMILES notation for N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine?
The canonical SMILES for N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine is Cc1cccc(C)c1-n1nnnc1C(C)(C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine?
The InChIKey is GXSUAOYEXRRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-20-12-11-13-21(2)24(20)31-25(27-28-29-31)26(3,4)30(18-22-14-7-5-8-15-22)19-23-16-9-6-10-17-23/h5-17H,18-19H2,1-4H3.
What are the key properties of N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine?
N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine has a molecular weight of 411.55 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine is sourced from PubChem (CID 3115374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).