2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide

C9H20N2O2 — CID 114290208

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCOC
InChIInChI=1S/C9H20N2O2/c1-4-9(2,7-10)8(12)11-5-6-13-3/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyATNWMIJPXSNPBZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide

2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide (PubChem CID 114290208) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
PubChem CID114290208
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCOC
InChIInChI=1S/C9H20N2O2/c1-4-9(2,7-10)8(12)11-5-6-13-3/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyATNWMIJPXSNPBZ-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide (CID 114290208) is 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide is CCC(C)(CN)C(=O)NCCOC.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
The InChIKey is ATNWMIJPXSNPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-9(2,7-10)8(12)11-5-6-13-3/h4-7,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide is sourced from PubChem (CID 114290208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).