3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide

C11H21N5O — CID 91270663

IUPAC3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide
SMILESCC(C)(CC(N)=O)CC(C)(C)Cc1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-10(2,5-8(12)17)7-11(3,4)6-9-13-15-16-14-9/h5-7H2,1-4H3,(H2,12,17)(H,13,14,15,16)
InChIKeySZZFBZAYBYQAND-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.06
Rot. Bonds6

About 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide

3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide (PubChem CID 91270663) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide
PubChem CID91270663
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide
SMILESCC(C)(CC(N)=O)CC(C)(C)Cc1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-10(2,5-8(12)17)7-11(3,4)6-9-13-15-16-14-9/h5-7H2,1-4H3,(H2,12,17)(H,13,14,15,16)
InChIKeySZZFBZAYBYQAND-UHFFFAOYSA-N
XLogP1.06
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide?
The IUPAC name of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide (CID 91270663) is 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide.
What is the SMILES notation for 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide?
The canonical SMILES for 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide is CC(C)(CC(N)=O)CC(C)(C)Cc1nn[nH]n1.
What is the InChIKey of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide?
The InChIKey is SZZFBZAYBYQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10(2,5-8(12)17)7-11(3,4)6-9-13-15-16-14-9/h5-7H2,1-4H3,(H2,12,17)(H,13,14,15,16).
What are the key properties of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide?
3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide has a molecular weight of 239.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide is sourced from PubChem (CID 91270663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).