2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate

C22H46N2O2 — CID 118631053

IUPAC2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OCCN(C)CCN(C)C
InChIInChI=1S/C22H46N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-20-24(4)19-18-23(2)3/h5-21H2,1-4H3
InChIKeySGPAMRYQTGJFKT-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.11
Rot. Bonds19

About 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate

2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate (PubChem CID 118631053) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
PubChem CID118631053
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OCCN(C)CCN(C)C
InChIInChI=1S/C22H46N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-20-24(4)19-18-23(2)3/h5-21H2,1-4H3
InChIKeySGPAMRYQTGJFKT-UHFFFAOYSA-N
XLogP5.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]ethyl (Z)-octadec-9-enoate
CID 118631049
2-[methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate;hydrochloride
CID 173188772
(Z)-but-2-enedioic acid;2-(dimethylamino)ethyl heptanoate
CID 20841178
dodecyl 3-(dimethylamino)propanoate
CID 11483031
2-[methyl(2-octadeca-9,12-dienoyloxyethyl)amino]ethyl octadeca-9,12-dienoate
CID 123369708
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
butyl 4-(dimethylamino)butanoate
CID 89434908
2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl 3-[2-[[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 168851307
2-[10-[2-chloroethyl(dodecyl)amino]decanoyloxy]ethyl 10-[2-(dimethylamino)ethyl-dodecylamino]decanoate
CID 171586145
2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl tetradecanoate
CID 137363747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate (CID 118631053) is 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate is CCCCCCCCCCCCCCC(=O)OCCN(C)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate?
The InChIKey is SGPAMRYQTGJFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-20-24(4)19-18-23(2)3/h5-21H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate?
2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate has a molecular weight of 370.62 g/mol, XLogP of 5.11, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate is sourced from PubChem (CID 118631053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).