2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide

C8H16N6O — CID 114290570

IUPAC2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
SMILESCCC(C)(CN)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H16N6O/c1-3-8(2,5-9)7(15)10-4-6-11-13-14-12-6/h3-5,9H2,1-2H3,(H,10,15)(H,11,12,13,14)
InChIKeyWKAJRAIOABHKKZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.81
Rot. Bonds5

About 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide

2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide (PubChem CID 114290570) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
PubChem CID114290570
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
SMILESCCC(C)(CN)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H16N6O/c1-3-8(2,5-9)7(15)10-4-6-11-13-14-12-6/h3-5,9H2,1-2H3,(H,10,15)(H,11,12,13,14)
InChIKeyWKAJRAIOABHKKZ-UHFFFAOYSA-N
XLogP-0.81
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 113270816
1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248215
1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248182
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370930
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 104908299

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide (CID 114290570) is 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide is CCC(C)(CN)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The InChIKey is WKAJRAIOABHKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-3-8(2,5-9)7(15)10-4-6-11-13-14-12-6/h3-5,9H2,1-2H3,(H,10,15)(H,11,12,13,14).
What are the key properties of 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide has a molecular weight of 212.26 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 114290570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).