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

C11H21N5O — CID 55109199

IUPAC2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1CC1CCCO1
InChIInChI=1S/C11H21N5O/c1-11(2,3)12-7-10-13-14-15-16(10)8-9-5-4-6-17-9/h9,12H,4-8H2,1-3H3
InChIKeyCSAYKEDXLDOINB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.74
Rot. Bonds4

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

2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 55109199) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID55109199
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1CC1CCCO1
InChIInChI=1S/C11H21N5O/c1-11(2,3)12-7-10-13-14-15-16(10)8-9-5-4-6-17-9/h9,12H,4-8H2,1-3H3
InChIKeyCSAYKEDXLDOINB-UHFFFAOYSA-N
XLogP0.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine (CID 55109199) is 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnnn1CC1CCCO1.
What is the InChIKey of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is CSAYKEDXLDOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,3)12-7-10-13-14-15-16(10)8-9-5-4-6-17-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55109199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).