benzyl 5-(dimethylamino)pentanoate

C14H21NO2 — CID 66632292

IUPACbenzyl 5-(dimethylamino)pentanoate
SMILESCN(C)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-15(2)11-7-6-10-14(16)17-12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyIBUUMPRSBKKLMS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds7

About benzyl 5-(dimethylamino)pentanoate

benzyl 5-(dimethylamino)pentanoate (PubChem CID 66632292) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is benzyl 5-(dimethylamino)pentanoate.

Molecular Properties

Compound Namebenzyl 5-(dimethylamino)pentanoate
PubChem CID66632292
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebenzyl 5-(dimethylamino)pentanoate
SMILESCN(C)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-15(2)11-7-6-10-14(16)17-12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyIBUUMPRSBKKLMS-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
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

benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl 5-[ethyl(propyl)amino]pentanoate
CID 168985583
N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine
CID 123162383
benzyl 12-oxotridecanoate
CID 21035822
benzyl heptadecanoate
CID 522569
benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 6-[bis(2-phenylacetyl)amino]hexanoate
CID 21156409
benzyl 4-[(4-oxo-4-phenylmethoxybutyl)-(3-oxo-3-phenylmethoxypropyl)amino]butanoate
CID 134252022
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
benzyl 4-phenylbutanoate
CID 11961623
benzyl 4-propanoyloxybutanoate
CID 163613543

Frequently Asked Questions

What is the IUPAC name of benzyl 5-(dimethylamino)pentanoate?
The IUPAC name of benzyl 5-(dimethylamino)pentanoate (CID 66632292) is benzyl 5-(dimethylamino)pentanoate.
What is the SMILES notation for benzyl 5-(dimethylamino)pentanoate?
The canonical SMILES for benzyl 5-(dimethylamino)pentanoate is CN(C)CCCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-(dimethylamino)pentanoate?
The InChIKey is IBUUMPRSBKKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)11-7-6-10-14(16)17-12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of benzyl 5-(dimethylamino)pentanoate?
benzyl 5-(dimethylamino)pentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-(dimethylamino)pentanoate is sourced from PubChem (CID 66632292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).