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

C11H25N3O — CID 63761733

IUPAC2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
SMILESCCC(CC)N(CCN)C(C)C(=O)NC
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)9(3)11(15)13-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyZKEGTJSTOZCLDX-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.57
Rot. Bonds7

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

2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide (PubChem CID 63761733) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
PubChem CID63761733
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
SMILESCCC(CC)N(CCN)C(C)C(=O)NC
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)9(3)11(15)13-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyZKEGTJSTOZCLDX-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide (CID 63761733) is 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide is CCC(CC)N(CCN)C(C)C(=O)NC.
What is the InChIKey of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
The InChIKey is ZKEGTJSTOZCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)9(3)11(15)13-4/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 63761733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).