8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid

C15H30N2O3 — CID 67367553

IUPAC8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid
SMILESCC1CN(CCCCCCCCNC(=O)O)CC(C)O1
InChIInChI=1S/C15H30N2O3/c1-13-11-17(12-14(2)20-13)10-8-6-4-3-5-7-9-16-15(18)19/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyVJHKDLAVMMBCDF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.70
Rot. Bonds9

About 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid

8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid (PubChem CID 67367553) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid.

Molecular Properties

Compound Name8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid
PubChem CID67367553
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid
SMILESCC1CN(CCCCCCCCNC(=O)O)CC(C)O1
InChIInChI=1S/C15H30N2O3/c1-13-11-17(12-14(2)20-13)10-8-6-4-3-5-7-9-16-15(18)19/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyVJHKDLAVMMBCDF-UHFFFAOYSA-N
XLogP2.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

MF268
CID 5288799
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octylcarbamic acid
CID 447605
4-(Octadecylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807175
4-(Octylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807178
4-(Dodecylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807183
(1-methylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 21652742
Decylcarbamic acid;morpholine
CID 21749976
4-(Hexylcarbamoyloxy)piperidine-1-carboxylic acid
CID 22401232
4-(Decylcarbamoyloxy)piperidine-1-carboxylic acid
CID 22401233
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365
(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate
CID 23171366
2-piperidin-1-ylethyl N-octadecylcarbamate
CID 53710405

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid?
The IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid (CID 67367553) is 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid.
What is the SMILES notation for 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid?
The canonical SMILES for 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid is CC1CN(CCCCCCCCNC(=O)O)CC(C)O1.
What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid?
The InChIKey is VJHKDLAVMMBCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13-11-17(12-14(2)20-13)10-8-6-4-3-5-7-9-16-15(18)19/h13-14,16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid?
8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid has a molecular weight of 286.42 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylmorpholin-4-yl)octylcarbamic acid is sourced from PubChem (CID 67367553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).