butyl 4-(dimethylamino)butanoate

C10H21NO2 — CID 89434908

IUPACbutyl 4-(dimethylamino)butanoate
SMILESCCCCOC(=O)CCCN(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-9-13-10(12)7-6-8-11(2)3/h4-9H2,1-3H3
InChIKeyWLNBLFBNBDDFJG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About butyl 4-(dimethylamino)butanoate

butyl 4-(dimethylamino)butanoate (PubChem CID 89434908) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butyl 4-(dimethylamino)butanoate.

Molecular Properties

Compound Namebutyl 4-(dimethylamino)butanoate
PubChem CID89434908
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutyl 4-(dimethylamino)butanoate
SMILESCCCCOC(=O)CCCN(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-9-13-10(12)7-6-8-11(2)3/h4-9H2,1-3H3
InChIKeyWLNBLFBNBDDFJG-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 3-(dimethylamino)propanoate
CID 11483031
3-[4-(dimethylamino)butylamino]propyl pentanoate
CID 174293227
dibutyl heptadecanedioate
CID 87117348
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
bis(4-pentylnonyl) 11-[6-(dimethylamino)hexyl]henicosanedioate
CID 167633857
3-(dimethylamino)propyl 9-methyloctadecanoate
CID 89159646
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl dodecanoate;stannane
CID 173127459
butyl hexanoate;λ2-stannane
CID 174326470
butyl pentacosanoate
CID 54548273

Frequently Asked Questions

What is the IUPAC name of butyl 4-(dimethylamino)butanoate?
The IUPAC name of butyl 4-(dimethylamino)butanoate (CID 89434908) is butyl 4-(dimethylamino)butanoate.
What is the SMILES notation for butyl 4-(dimethylamino)butanoate?
The canonical SMILES for butyl 4-(dimethylamino)butanoate is CCCCOC(=O)CCCN(C)C.
What is the InChIKey of butyl 4-(dimethylamino)butanoate?
The InChIKey is WLNBLFBNBDDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-9-13-10(12)7-6-8-11(2)3/h4-9H2,1-3H3.
What are the key properties of butyl 4-(dimethylamino)butanoate?
butyl 4-(dimethylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(dimethylamino)butanoate is sourced from PubChem (CID 89434908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).