1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone

C13H23N5O — CID 107047240

IUPAC1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2nnn(C)n2)CCCC1
InChIInChI=1S/C13H23N5O/c1-4-18(5-2)13(8-6-7-9-13)11(19)10-12-14-16-17(3)15-12/h4-10H2,1-3H3
InChIKeyVKYLCAGGPCBKOK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds6

About 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone

1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047240) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047240
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2nnn(C)n2)CCCC1
InChIInChI=1S/C13H23N5O/c1-4-18(5-2)13(8-6-7-9-13)11(19)10-12-14-16-17(3)15-12/h4-10H2,1-3H3
InChIKeyVKYLCAGGPCBKOK-UHFFFAOYSA-N
XLogP0.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 158958791
3-(Dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047205
3-(Diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047207
3-Methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one
CID 107047210
3-(Dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047217
3-Methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one
CID 107047226
3-(Dimethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047230
3-(Diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047232
1-[1-(Dimethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107047238
2-(2-Methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 107047241
2-(2-Methyltetrazol-5-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanone
CID 107047245
2-(2-Methyltetrazol-5-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 107047247

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107047240) is 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone is CCN(CC)C1(C(=O)Cc2nnn(C)n2)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is VKYLCAGGPCBKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18(5-2)13(8-6-7-9-13)11(19)10-12-14-16-17(3)15-12/h4-10H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).