methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate

C13H30N4O2 — CID 129181222

IUPACmethyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
SMILESCCN(CCNCCC(=O)OC)CCN(C)CCN
InChIInChI=1S/C13H30N4O2/c1-4-17(12-11-16(2)9-6-14)10-8-15-7-5-13(18)19-3/h15H,4-12,14H2,1-3H3
InChIKeyACLRZUTWYZAPOW-UHFFFAOYSA-N
MW274.41 g/mol
LogP-0.65
Rot. Bonds12

About methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate

methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate (PubChem CID 129181222) has the molecular formula C13H30N4O2 and a molecular weight of 274.41 g/mol. Its IUPAC name is methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
PubChem CID129181222
Molecular FormulaC13H30N4O2
Molecular Weight274.41 g/mol
Exact Mass274.24
IUPAC Namemethyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
SMILESCCN(CCNCCC(=O)OC)CCN(C)CCN
InChIInChI=1S/C13H30N4O2/c1-4-17(12-11-16(2)9-6-14)10-8-15-7-5-13(18)19-3/h15H,4-12,14H2,1-3H3
InChIKeyACLRZUTWYZAPOW-UHFFFAOYSA-N
XLogP-0.65
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-[2-aminoethyl(propyl)amino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-(dipropylamino)ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 158496607
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
CID 102046536
methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207706
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
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-pentylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207729
methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate
CID 118011739
ethyl 3-[2-[2-[2-aminoethyl-(3-ethoxy-3-oxopropyl)amino]ethylamino]ethylamino]propanoate
CID 143379175
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 169021905
methyl 3-[2-[2-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-ethylamino]ethyl-methylamino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-methylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 158039985
methyl 3-[2-[2-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-ethylamino]ethyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate
CID 90207739
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate?
The IUPAC name of methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate (CID 129181222) is methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate is CCN(CCNCCC(=O)OC)CCN(C)CCN.
What is the InChIKey of methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate?
The InChIKey is ACLRZUTWYZAPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2/c1-4-17(12-11-16(2)9-6-14)10-8-15-7-5-13(18)19-3/h15H,4-12,14H2,1-3H3.
What are the key properties of methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate?
methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate has a molecular weight of 274.41 g/mol, XLogP of -0.65, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate is sourced from PubChem (CID 129181222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).