1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone

C13H23N5O — CID 107047253

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCCC(C(=O)Cc2nnn(C)n2)(N(C)C)C1
InChIInChI=1S/C13H23N5O/c1-10-6-5-7-13(9-10,17(2)3)11(19)8-12-14-16-18(4)15-12/h10H,5-9H2,1-4H3
InChIKeyNIAKTORIFNUWLF-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.83
Rot. Bonds4

About 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone

1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047253) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047253
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCCC(C(=O)Cc2nnn(C)n2)(N(C)C)C1
InChIInChI=1S/C13H23N5O/c1-10-6-5-7-13(9-10,17(2)3)11(19)8-12-14-16-18(4)15-12/h10H,5-9H2,1-4H3
InChIKeyNIAKTORIFNUWLF-UHFFFAOYSA-N
XLogP0.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107047253) is 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone is CC1CCCC(C(=O)Cc2nnn(C)n2)(N(C)C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is NIAKTORIFNUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-6-5-7-13(9-10,17(2)3)11(19)8-12-14-16-18(4)15-12/h10H,5-9H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).