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

C11H23N5 — CID 62738196

IUPAC2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCC(C)Cn1nnnc1CNCC(C)C
InChIInChI=1S/C11H23N5/c1-5-10(4)8-16-11(13-14-15-16)7-12-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyINNSIIBASZPEJO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.46
Rot. Bonds7

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

2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62738196) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62738196
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCC(C)Cn1nnnc1CNCC(C)C
InChIInChI=1S/C11H23N5/c1-5-10(4)8-16-11(13-14-15-16)7-12-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyINNSIIBASZPEJO-UHFFFAOYSA-N
XLogP1.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62738196) is 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine is CCC(C)Cn1nnnc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is INNSIIBASZPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-5-10(4)8-16-11(13-14-15-16)7-12-6-9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62738196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).