methyl 4-[4-aminobutyl(methyl)amino]butanoate

C10H22N2O2 — CID 63383317

IUPACmethyl 4-[4-aminobutyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)CCCCN
InChIInChI=1S/C10H22N2O2/c1-12(8-4-3-7-11)9-5-6-10(13)14-2/h3-9,11H2,1-2H3
InChIKeyVEUOFAUHCVMJSM-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.61
Rot. Bonds8

About methyl 4-[4-aminobutyl(methyl)amino]butanoate

methyl 4-[4-aminobutyl(methyl)amino]butanoate (PubChem CID 63383317) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl 4-[4-aminobutyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-aminobutyl(methyl)amino]butanoate
PubChem CID63383317
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namemethyl 4-[4-aminobutyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)CCCCN
InChIInChI=1S/C10H22N2O2/c1-12(8-4-3-7-11)9-5-6-10(13)14-2/h3-9,11H2,1-2H3
InChIKeyVEUOFAUHCVMJSM-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.61
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

Carpronium
CID 2582
(2-Amino-4-methoxy-4-oxobutyl)-trimethylazanium
CID 13393122
Methyl 4-(methylamino)butanoate
CID 14769104
4-[Methoxymethyl(dimethyl)azaniumyl]butanoate
CID 90655237
Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
CID 44909
Methyl 4-(ethylamino)butanoate hydrochloride
CID 118798526
gamma-Aminobutyrylcholine
CID 164658
4-(3-Methoxycarbonyl-propylamino)-butyric acid methyl ester
CID 54310204
Methyl 4-(diethylamino)butanoate
CID 44910
Methyl 4-(ethylamino)butanoate
CID 43216361
Methyl 4-(piperazin-1-yl)butanoate
CID 43377669
Ethyl 4-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 263044

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-aminobutyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[4-aminobutyl(methyl)amino]butanoate (CID 63383317) is methyl 4-[4-aminobutyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[4-aminobutyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[4-aminobutyl(methyl)amino]butanoate is COC(=O)CCCN(C)CCCCN.
What is the InChIKey of methyl 4-[4-aminobutyl(methyl)amino]butanoate?
The InChIKey is VEUOFAUHCVMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12(8-4-3-7-11)9-5-6-10(13)14-2/h3-9,11H2,1-2H3.
What are the key properties of methyl 4-[4-aminobutyl(methyl)amino]butanoate?
methyl 4-[4-aminobutyl(methyl)amino]butanoate has a molecular weight of 202.30 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-aminobutyl(methyl)amino]butanoate is sourced from PubChem (CID 63383317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).