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

C13H19N5 — CID 62736869

IUPACN-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CCc1ccccc1
InChIInChI=1S/C13H19N5/c1-11(2)14-10-13-15-16-17-18(13)9-8-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKeyXTZUZADXRCUZFS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds6

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

N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62736869) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62736869
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CCc1ccccc1
InChIInChI=1S/C13H19N5/c1-11(2)14-10-13-15-16-17-18(13)9-8-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKeyXTZUZADXRCUZFS-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62736869) is N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1CCc1ccccc1.
What is the InChIKey of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is XTZUZADXRCUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-11(2)14-10-13-15-16-17-18(13)9-8-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62736869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).