methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate

C11H24N2O2 — CID 62640130

IUPACmethyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
SMILESCOC(=O)CCCNCCN(C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2)13(3)9-8-12-7-5-6-11(14)15-4/h10,12H,5-9H2,1-4H3
InChIKeyUOZVPDROXLGDBP-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds8

About methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate

methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate (PubChem CID 62640130) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
PubChem CID62640130
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namemethyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
SMILESCOC(=O)CCCNCCN(C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2)13(3)9-8-12-7-5-6-11(14)15-4/h10,12H,5-9H2,1-4H3
InChIKeyUOZVPDROXLGDBP-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103409489
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
propan-2-yl 4-[3-(dimethylamino)propylamino]butanoate
CID 176847229
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
methyl 4-(decylamino)butanoate;hydrochloride
CID 71755516

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate?
The IUPAC name of methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate (CID 62640130) is methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate.
What is the SMILES notation for methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate?
The canonical SMILES for methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate is COC(=O)CCCNCCN(C)C(C)C.
What is the InChIKey of methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate?
The InChIKey is UOZVPDROXLGDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2)13(3)9-8-12-7-5-6-11(14)15-4/h10,12H,5-9H2,1-4H3.
What are the key properties of methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate?
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate has a molecular weight of 216.32 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate is sourced from PubChem (CID 62640130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).