2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid

C9H20N2O4 — CID 126503687

IUPAC2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
SMILESCN(C)CCOCCOCCNC(=O)O
InChIInChI=1S/C9H20N2O4/c1-11(2)4-6-15-8-7-14-5-3-10-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyCYHOLKMSCMOKKD-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.15
Rot. Bonds9

About 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid

2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid (PubChem CID 126503687) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
PubChem CID126503687
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
SMILESCN(C)CCOCCOCCNC(=O)O
InChIInChI=1S/C9H20N2O4/c1-11(2)4-6-15-8-7-14-5-3-10-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyCYHOLKMSCMOKKD-UHFFFAOYSA-N
XLogP-0.15
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
CID 174189370
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid
CID 155391905
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methoxyacetamide
CID 103939815
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
2-(2-hexoxyethoxy)ethylcarbamic acid
CID 90014207
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
1-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 114127451

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid (CID 126503687) is 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid is CN(C)CCOCCOCCNC(=O)O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid?
The InChIKey is CYHOLKMSCMOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-11(2)4-6-15-8-7-14-5-3-10-9(12)13/h10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 220.27 g/mol, XLogP of -0.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 126503687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).