2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide

C12H27N3O2 — CID 62008377

IUPAC2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC(=O)NCCOC)C(C)(CC)CN
InChIInChI=1S/C12H27N3O2/c1-5-12(3,10-13)15(6-2)9-11(16)14-7-8-17-4/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyJLTULNILVAXMNW-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.20
Rot. Bonds9

About 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide

2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 62008377) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
PubChem CID62008377
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC(=O)NCCOC)C(C)(CC)CN
InChIInChI=1S/C12H27N3O2/c1-5-12(3,10-13)15(6-2)9-11(16)14-7-8-17-4/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyJLTULNILVAXMNW-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 65247102
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
CID 63763709
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 78954285
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
CID 55640369
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
CID 62009398
2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 113219210
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide (CID 62008377) is 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide is CCN(CC(=O)NCCOC)C(C)(CC)CN.
What is the InChIKey of 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is JLTULNILVAXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-5-12(3,10-13)15(6-2)9-11(16)14-7-8-17-4/h5-10,13H2,1-4H3,(H,14,16).
What are the key properties of 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide?
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 245.37 g/mol, XLogP of 0.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).