3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine

C16H25N5 — CID 107049144

IUPAC3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
SMILESCCC(CC)(c1ccccc1)C(Cc1nnn(C)n1)NC
InChIInChI=1S/C16H25N5/c1-5-16(6-2,13-10-8-7-9-11-13)14(17-3)12-15-18-20-21(4)19-15/h7-11,14,17H,5-6,12H2,1-4H3
InChIKeyQPMPOKVKOWTYKC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.10
Rot. Bonds7

About 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine

3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine (PubChem CID 107049144) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
PubChem CID107049144
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
SMILESCCC(CC)(c1ccccc1)C(Cc1nnn(C)n1)NC
InChIInChI=1S/C16H25N5/c1-5-16(6-2,13-10-8-7-9-11-13)14(17-3)12-15-18-20-21(4)19-15/h7-11,14,17H,5-6,12H2,1-4H3
InChIKeyQPMPOKVKOWTYKC-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine (CID 107049144) is 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine is CCC(CC)(c1ccccc1)C(Cc1nnn(C)n1)NC.
What is the InChIKey of 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine?
The InChIKey is QPMPOKVKOWTYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-16(6-2,13-10-8-7-9-11-13)14(17-3)12-15-18-20-21(4)19-15/h7-11,14,17H,5-6,12H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine?
3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine is sourced from PubChem (CID 107049144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).