2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine

C13H27N5O — CID 55109305

IUPAC2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)CCOCCn1nnnc1CNC(C)(C)C
InChIInChI=1S/C13H27N5O/c1-11(2)6-8-19-9-7-18-12(15-16-17-18)10-14-13(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyXKWLHTGPPRHBPR-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.62
Rot. Bonds8

About 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 55109305) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID55109305
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)CCOCCn1nnnc1CNC(C)(C)C
InChIInChI=1S/C13H27N5O/c1-11(2)6-8-19-9-7-18-12(15-16-17-18)10-14-13(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyXKWLHTGPPRHBPR-UHFFFAOYSA-N
XLogP1.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine (CID 55109305) is 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine is CC(C)CCOCCn1nnnc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is XKWLHTGPPRHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-11(2)6-8-19-9-7-18-12(15-16-17-18)10-14-13(3,4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55109305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).