methyl 3-[3-(diethylamino)propylamino]propanoate

C11H24N2O2 — CID 43242751

IUPACmethyl 3-[3-(diethylamino)propylamino]propanoate
SMILESCCN(CC)CCCNCCC(=O)OC
InChIInChI=1S/C11H24N2O2/c1-4-13(5-2)10-6-8-12-9-7-11(14)15-3/h12H,4-10H2,1-3H3
InChIKeyRRSNBGUXCKBLCZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds9

About methyl 3-[3-(diethylamino)propylamino]propanoate

methyl 3-[3-(diethylamino)propylamino]propanoate (PubChem CID 43242751) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 3-[3-(diethylamino)propylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(diethylamino)propylamino]propanoate
PubChem CID43242751
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namemethyl 3-[3-(diethylamino)propylamino]propanoate
SMILESCCN(CC)CCCNCCC(=O)OC
InChIInChI=1S/C11H24N2O2/c1-4-13(5-2)10-6-8-12-9-7-11(14)15-3/h12H,4-10H2,1-3H3
InChIKeyRRSNBGUXCKBLCZ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
methyl 3-[3-[3-[3-[3-[bis[3-[3-[bis(3-methoxy-3-oxopropyl)amino]propylamino]-3-oxopropyl]amino]propylamino]propyl-[3-[3-[bis(3-methoxy-3-oxopropyl)amino]propylamino]-3-oxopropyl]amino]propanoylamino]propyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 11804507
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
benzene;methanamine;methyl 5-(diethylamino)pentanoate
CID 157306239
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 6-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]hexanoate;methyl 6-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl]amino]hexanoate
CID 159016954
methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
CID 58052069
methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate
CID 118011739
methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
CID 129181222
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
CID 21360332
CID 21360332
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-pentylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207729
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
CID 102046536

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(diethylamino)propylamino]propanoate?
The IUPAC name of methyl 3-[3-(diethylamino)propylamino]propanoate (CID 43242751) is methyl 3-[3-(diethylamino)propylamino]propanoate.
What is the SMILES notation for methyl 3-[3-(diethylamino)propylamino]propanoate?
The canonical SMILES for methyl 3-[3-(diethylamino)propylamino]propanoate is CCN(CC)CCCNCCC(=O)OC.
What is the InChIKey of methyl 3-[3-(diethylamino)propylamino]propanoate?
The InChIKey is RRSNBGUXCKBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-13(5-2)10-6-8-12-9-7-11(14)15-3/h12H,4-10H2,1-3H3.
What are the key properties of methyl 3-[3-(diethylamino)propylamino]propanoate?
methyl 3-[3-(diethylamino)propylamino]propanoate has a molecular weight of 216.32 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(diethylamino)propylamino]propanoate is sourced from PubChem (CID 43242751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).