1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole

C11H20N4 — CID 58477056

IUPAC1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole
SMILESCC1(C)CC[C@H](Cn2cnnn2)C1(C)C
InChIInChI=1S/C11H20N4/c1-10(2)6-5-9(11(10,3)4)7-15-8-12-13-14-15/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyAXHGEOWHWXXFRG-SECBINFHSA-N
MW208.31 g/mol
LogP2.14
Rot. Bonds2

About 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole

1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole (PubChem CID 58477056) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole.

Molecular Properties

Compound Name1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole
PubChem CID58477056
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole
SMILESCC1(C)CC[C@H](Cn2cnnn2)C1(C)C
InChIInChI=1S/C11H20N4/c1-10(2)6-5-9(11(10,3)4)7-15-8-12-13-14-15/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyAXHGEOWHWXXFRG-SECBINFHSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole?
The IUPAC name of 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole (CID 58477056) is 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole.
What is the SMILES notation for 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole?
The canonical SMILES for 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole is CC1(C)CC[C@H](Cn2cnnn2)C1(C)C.
What is the InChIKey of 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole?
The InChIKey is AXHGEOWHWXXFRG-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2)6-5-9(11(10,3)4)7-15-8-12-13-14-15/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole?
1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole has a molecular weight of 208.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]tetrazole is sourced from PubChem (CID 58477056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).