propyl 3-(2-aminoethylamino)-2-methylpropanoate

C9H20N2O2 — CID 20551168

IUPACpropyl 3-(2-aminoethylamino)-2-methylpropanoate
SMILESCCCOC(=O)C(C)CNCCN
InChIInChI=1S/C9H20N2O2/c1-3-6-13-9(12)8(2)7-11-5-4-10/h8,11H,3-7,10H2,1-2H3
InChIKeyRLJZXDMOIFSLRH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds7

About propyl 3-(2-aminoethylamino)-2-methylpropanoate

propyl 3-(2-aminoethylamino)-2-methylpropanoate (PubChem CID 20551168) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is propyl 3-(2-aminoethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namepropyl 3-(2-aminoethylamino)-2-methylpropanoate
PubChem CID20551168
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namepropyl 3-(2-aminoethylamino)-2-methylpropanoate
SMILESCCCOC(=O)C(C)CNCCN
InChIInChI=1S/C9H20N2O2/c1-3-6-13-9(12)8(2)7-11-5-4-10/h8,11H,3-7,10H2,1-2H3
InChIKeyRLJZXDMOIFSLRH-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
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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Frequently Asked Questions

What is the IUPAC name of propyl 3-(2-aminoethylamino)-2-methylpropanoate?
The IUPAC name of propyl 3-(2-aminoethylamino)-2-methylpropanoate (CID 20551168) is propyl 3-(2-aminoethylamino)-2-methylpropanoate.
What is the SMILES notation for propyl 3-(2-aminoethylamino)-2-methylpropanoate?
The canonical SMILES for propyl 3-(2-aminoethylamino)-2-methylpropanoate is CCCOC(=O)C(C)CNCCN.
What is the InChIKey of propyl 3-(2-aminoethylamino)-2-methylpropanoate?
The InChIKey is RLJZXDMOIFSLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-6-13-9(12)8(2)7-11-5-4-10/h8,11H,3-7,10H2,1-2H3.
What are the key properties of propyl 3-(2-aminoethylamino)-2-methylpropanoate?
propyl 3-(2-aminoethylamino)-2-methylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2-aminoethylamino)-2-methylpropanoate is sourced from PubChem (CID 20551168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).