butyl 2-(methylaminomethyl)butanoate

C10H21NO2 — CID 174762304

IUPACbutyl 2-(methylaminomethyl)butanoate
SMILESCCCCOC(=O)C(CC)CNC
InChIInChI=1S/C10H21NO2/c1-4-6-7-13-10(12)9(5-2)8-11-3/h9,11H,4-8H2,1-3H3
InChIKeyHZNGPLXNBQZUMI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds7

About butyl 2-(methylaminomethyl)butanoate

butyl 2-(methylaminomethyl)butanoate (PubChem CID 174762304) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butyl 2-(methylaminomethyl)butanoate.

Molecular Properties

Compound Namebutyl 2-(methylaminomethyl)butanoate
PubChem CID174762304
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutyl 2-(methylaminomethyl)butanoate
SMILESCCCCOC(=O)C(CC)CNC
InChIInChI=1S/C10H21NO2/c1-4-6-7-13-10(12)9(5-2)8-11-3/h9,11H,4-8H2,1-3H3
InChIKeyHZNGPLXNBQZUMI-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(methylaminomethyl)butanoate
CID 23272258
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
icosyl 2-ethylbutanoate
CID 91709792
nonadecyl 2-ethylbutanoate
CID 91709791
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
dibutyl 2-ethyl-4-methylpentanedioate
CID 146956959
butyl 2-butylhexanoate;stannane
CID 172996715
sodium 4-butoxycarbonyl-2-ethylhexanoate
CID 59938990
decyl 2-ethyldecanoate
CID 22665194
hexadecyl 2-ethyldecanoate
CID 22665192
dihexyl 2-ethylbutanedioate
CID 138539583
butyl 2-butyldocosanoate
CID 175080024

Frequently Asked Questions

What is the IUPAC name of butyl 2-(methylaminomethyl)butanoate?
The IUPAC name of butyl 2-(methylaminomethyl)butanoate (CID 174762304) is butyl 2-(methylaminomethyl)butanoate.
What is the SMILES notation for butyl 2-(methylaminomethyl)butanoate?
The canonical SMILES for butyl 2-(methylaminomethyl)butanoate is CCCCOC(=O)C(CC)CNC.
What is the InChIKey of butyl 2-(methylaminomethyl)butanoate?
The InChIKey is HZNGPLXNBQZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-7-13-10(12)9(5-2)8-11-3/h9,11H,4-8H2,1-3H3.
What are the key properties of butyl 2-(methylaminomethyl)butanoate?
butyl 2-(methylaminomethyl)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(methylaminomethyl)butanoate is sourced from PubChem (CID 174762304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).