2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide

C10H23N3O — CID 61486750

IUPAC2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)CCN
InChIInChI=1S/C10H23N3O/c1-4-9(5-2)12-10(14)8-13(3)7-6-11/h9H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyIKCBKGWZJXFBCC-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.18
Rot. Bonds7

About 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide

2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide (PubChem CID 61486750) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
PubChem CID61486750
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)CCN
InChIInChI=1S/C10H23N3O/c1-4-9(5-2)12-10(14)8-13(3)7-6-11/h9H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyIKCBKGWZJXFBCC-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide
CID 62009568
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
CID 61487094
2-[(3-amino-3-sulfanylidenepropyl)-ethylamino]-N-pentan-3-ylacetamide
CID 54992977
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide (CID 61486750) is 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(C)CCN.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is IKCBKGWZJXFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-9(5-2)12-10(14)8-13(3)7-6-11/h9H,4-8,11H2,1-3H3,(H,12,14).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide?
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 201.31 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).