N,N-dimethylmethanamine;1-iodoethyl tetradecanoate

C19H40INO2 — CID 88793397

IUPACN,N-dimethylmethanamine;1-iodoethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)I.CN(C)C
InChIInChI=1S/C16H31IO2.C3H9N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17;1-4(2)3/h15H,3-14H2,1-2H3;1-3H3
InChIKeyCPEBUCIIORGRQC-UHFFFAOYSA-N
MW441.44 g/mol
LogP6.19
Rot. Bonds13

About N,N-dimethylmethanamine;1-iodoethyl tetradecanoate

N,N-dimethylmethanamine;1-iodoethyl tetradecanoate (PubChem CID 88793397) has the molecular formula C19H40INO2 and a molecular weight of 441.44 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1-iodoethyl tetradecanoate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1-iodoethyl tetradecanoate
PubChem CID88793397
Molecular FormulaC19H40INO2
Molecular Weight441.44 g/mol
Exact Mass441.21
IUPAC NameN,N-dimethylmethanamine;1-iodoethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)I.CN(C)C
InChIInChI=1S/C16H31IO2.C3H9N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17;1-4(2)3/h15H,3-14H2,1-2H3;1-3H3
InChIKeyCPEBUCIIORGRQC-UHFFFAOYSA-N
XLogP6.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)ethyl nonanoate
CID 88815154
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
1-(dimethylamino)propan-2-yl decanoate
CID 25190133
1-hydroxyethyl hexadecanoate
CID 87454687
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
1-hydroxyethyl decanoate
CID 176884014
bis-(1-Carboxyethyl stearate)magnesium
CID 118856435
1-[methyl(octadecyl)amino]ethyl hexadecanoate
CID 19781253
3-methylbutan-2-yl icosanoate
CID 58052123
[(2S)-3-methylbutan-2-yl] octanoate
CID 118411407
1-aminoethyl decanoate
CID 87547112

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1-iodoethyl tetradecanoate?
The IUPAC name of N,N-dimethylmethanamine;1-iodoethyl tetradecanoate (CID 88793397) is N,N-dimethylmethanamine;1-iodoethyl tetradecanoate.
What is the SMILES notation for N,N-dimethylmethanamine;1-iodoethyl tetradecanoate?
The canonical SMILES for N,N-dimethylmethanamine;1-iodoethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)I.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;1-iodoethyl tetradecanoate?
The InChIKey is CPEBUCIIORGRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31IO2.C3H9N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17;1-4(2)3/h15H,3-14H2,1-2H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;1-iodoethyl tetradecanoate?
N,N-dimethylmethanamine;1-iodoethyl tetradecanoate has a molecular weight of 441.44 g/mol, XLogP of 6.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1-iodoethyl tetradecanoate is sourced from PubChem (CID 88793397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).