N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine

C11H23N5O — CID 55109537

IUPACN-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)n1nnnc1CNCC(C)C
InChIInChI=1S/C11H23N5O/c1-5-17-8-10(4)16-11(13-14-15-16)7-12-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyCETSWAIWKYGPDW-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.02
Rot. Bonds8

About N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55109537) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID55109537
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)n1nnnc1CNCC(C)C
InChIInChI=1S/C11H23N5O/c1-5-17-8-10(4)16-11(13-14-15-16)7-12-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyCETSWAIWKYGPDW-UHFFFAOYSA-N
XLogP1.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 55109537) is N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is CCOCC(C)n1nnnc1CNCC(C)C.
What is the InChIKey of N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CETSWAIWKYGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-5-17-8-10(4)16-11(13-14-15-16)7-12-6-9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55109537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).