3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one

C9H17N5O — CID 107061974

IUPAC3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCNC(C)(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-5-10-9(2,3)7(15)6-8-11-13-14(4)12-8/h10H,5-6H2,1-4H3
InChIKeyWQCLWEWKXRHDIG-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.29
Rot. Bonds5

About 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one

3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107061974) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107061974
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCNC(C)(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-5-10-9(2,3)7(15)6-8-11-13-14(4)12-8/h10H,5-6H2,1-4H3
InChIKeyWQCLWEWKXRHDIG-UHFFFAOYSA-N
XLogP-0.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2H-tetrazole;2-methyl-4-(propan-2-ylamino)pentan-3-one
CID 168178464
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one
CID 178446618
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-(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-(2-Methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
CID 107061820
1-(Cyclopropylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061823
1-(Butan-2-ylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061836
1-(2-Methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-one
CID 107061840

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107061974) is 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one is CCNC(C)(C)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is WQCLWEWKXRHDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5-10-9(2,3)7(15)6-8-11-13-14(4)12-8/h10H,5-6H2,1-4H3.
What are the key properties of 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107061974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).