16-(dimethylamino)hexadecyl hydrogen carbonate

C19H39NO3 — CID 177225064

IUPAC16-(dimethylamino)hexadecyl hydrogen carbonate
SMILESCN(C)CCCCCCCCCCCCCCCCOC(=O)O
InChIInChI=1S/C19H39NO3/c1-20(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-19(21)22/h3-18H2,1-2H3,(H,21,22)
InChIKeySVWAZTBGYYZSON-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.70
Rot. Bonds17

About 16-(dimethylamino)hexadecyl hydrogen carbonate

16-(dimethylamino)hexadecyl hydrogen carbonate (PubChem CID 177225064) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 16-(dimethylamino)hexadecyl hydrogen carbonate.

Molecular Properties

Compound Name16-(dimethylamino)hexadecyl hydrogen carbonate
PubChem CID177225064
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name16-(dimethylamino)hexadecyl hydrogen carbonate
SMILESCN(C)CCCCCCCCCCCCCCCCOC(=O)O
InChIInChI=1S/C19H39NO3/c1-20(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-19(21)22/h3-18H2,1-2H3,(H,21,22)
InChIKeySVWAZTBGYYZSON-UHFFFAOYSA-N
XLogP5.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.70
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

16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
CID 177226499
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
bis[6-(dimethylamino)hexyl] (Z)-but-2-enedioate
CID 87123530
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
3-[4-(dimethylamino)butoxy]-3-oxopropanoic acid
CID 87400379
10-(dimethylamino)decyl methyl carbonate;ethane
CID 177226338
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
azane;nonyl hydrogen carbonate
CID 175306231
5-(dimethylamino)pentyl hexa-2,4-dienoate
CID 54421505

Frequently Asked Questions

What is the IUPAC name of 16-(dimethylamino)hexadecyl hydrogen carbonate?
The IUPAC name of 16-(dimethylamino)hexadecyl hydrogen carbonate (CID 177225064) is 16-(dimethylamino)hexadecyl hydrogen carbonate.
What is the SMILES notation for 16-(dimethylamino)hexadecyl hydrogen carbonate?
The canonical SMILES for 16-(dimethylamino)hexadecyl hydrogen carbonate is CN(C)CCCCCCCCCCCCCCCCOC(=O)O.
What is the InChIKey of 16-(dimethylamino)hexadecyl hydrogen carbonate?
The InChIKey is SVWAZTBGYYZSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-20(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-19(21)22/h3-18H2,1-2H3,(H,21,22).
What are the key properties of 16-(dimethylamino)hexadecyl hydrogen carbonate?
16-(dimethylamino)hexadecyl hydrogen carbonate has a molecular weight of 329.53 g/mol, XLogP of 5.70, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(dimethylamino)hexadecyl hydrogen carbonate is sourced from PubChem (CID 177225064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).