amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate

C7H17N3O2 — CID 172721921

IUPACamino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCN(C)CCN(C)C(=O)ON
InChIInChI=1S/C7H17N3O2/c1-4-9(2)5-6-10(3)7(11)12-8/h4-6,8H2,1-3H3
InChIKeyGPZIDKPUEFIYFI-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.12
Rot. Bonds4

About amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate

amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 172721921) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nameamino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID172721921
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Nameamino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCN(C)CCN(C)C(=O)ON
InChIInChI=1S/C7H17N3O2/c1-4-9(2)5-6-10(3)7(11)12-8/h4-6,8H2,1-3H3
InChIKeyGPZIDKPUEFIYFI-UHFFFAOYSA-N
XLogP-0.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate (CID 172721921) is amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate is CCN(C)CCN(C)C(=O)ON.
What is the InChIKey of amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is GPZIDKPUEFIYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-4-9(2)5-6-10(3)7(11)12-8/h4-6,8H2,1-3H3.
What are the key properties of amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate?
amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 175.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 172721921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).