1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C14H24N4O — CID 107047155

IUPAC1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h10-11H,5-9H2,1-4H3
InChIKeyPFFSSTLJRYYIST-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047155) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047155
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h10-11H,5-9H2,1-4H3
InChIKeyPFFSSTLJRYYIST-UHFFFAOYSA-N
XLogP2.17
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047155) is 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is PFFSSTLJRYYIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).