2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide

C12H27N3O2 — CID 63763709

IUPAC2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCC(CC)N(CCN)CC(=O)NCCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(5-2)15(8-6-13)10-12(16)14-7-9-17-3/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyRRQSEYOXVAVUQA-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.20
Rot. Bonds10

About 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide

2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 63763709) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID63763709
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCC(CC)N(CCN)CC(=O)NCCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(5-2)15(8-6-13)10-12(16)14-7-9-17-3/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyRRQSEYOXVAVUQA-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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

N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
CID 55640369
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide
CID 63761726
N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide
CID 62016057
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
ethyl 4-[[2-[2-hydroxyethyl(pentan-3-yl)amino]acetyl]amino]butanoate
CID 62015098
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
CID 62008377
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide (CID 63763709) is 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide is CCC(CC)N(CCN)CC(=O)NCCOC.
What is the InChIKey of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is RRQSEYOXVAVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-11(5-2)15(8-6-13)10-12(16)14-7-9-17-3/h11H,4-10,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 245.37 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).