N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine

C12H17N5 — CID 53009733

IUPACN-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nnnn1-c1ccccc1C
InChIInChI=1S/C12H17N5/c1-9-7-5-6-8-10(9)17-11(14-15-16-17)12(2,3)13-4/h5-8,13H,1-4H3
InChIKeyBLJWNZSKLDBWIU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds3

About N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine

N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine (PubChem CID 53009733) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
PubChem CID53009733
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nnnn1-c1ccccc1C
InChIInChI=1S/C12H17N5/c1-9-7-5-6-8-10(9)17-11(14-15-16-17)12(2,3)13-4/h5-8,13H,1-4H3
InChIKeyBLJWNZSKLDBWIU-UHFFFAOYSA-N
XLogP1.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine (CID 53009733) is N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine is CNC(C)(C)c1nnnn1-c1ccccc1C.
What is the InChIKey of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine?
The InChIKey is BLJWNZSKLDBWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-5-6-8-10(9)17-11(14-15-16-17)12(2,3)13-4/h5-8,13H,1-4H3.
What are the key properties of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine?
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine is sourced from PubChem (CID 53009733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).