2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide

C8H18N4O2 — CID 81493509

IUPAC2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)CCCN
InChIInChI=1S/C8H18N4O2/c1-10-8(14)11-7(13)6-12(2)5-3-4-9/h3-6,9H2,1-2H3,(H2,10,11,13,14)
InChIKeyIBMNMLVUAOXJHS-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.28
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide

2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide (PubChem CID 81493509) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
PubChem CID81493509
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)CCCN
InChIInChI=1S/C8H18N4O2/c1-10-8(14)11-7(13)6-12(2)5-3-4-9/h3-6,9H2,1-2H3,(H2,10,11,13,14)
InChIKeyIBMNMLVUAOXJHS-UHFFFAOYSA-N
XLogP-1.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
2-[3-aminopropyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 81494112
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
CID 55006167
N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 115319258
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
CID 102040289
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide (CID 81493509) is 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(C)CCCN.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is IBMNMLVUAOXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-10-8(14)11-7(13)6-12(2)5-3-4-9/h3-6,9H2,1-2H3,(H2,10,11,13,14).
What are the key properties of 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide?
2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 202.26 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 81493509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).