3-aminopropyl N-ethyl-N-methylcarbamate

C7H16N2O2 — CID 79337730

IUPAC3-aminopropyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCCCN
InChIInChI=1S/C7H16N2O2/c1-3-9(2)7(10)11-6-4-5-8/h3-6,8H2,1-2H3
InChIKeyILIPMINHYUMHMK-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.42
Rot. Bonds4

About 3-aminopropyl N-ethyl-N-methylcarbamate

3-aminopropyl N-ethyl-N-methylcarbamate (PubChem CID 79337730) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-aminopropyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name3-aminopropyl N-ethyl-N-methylcarbamate
PubChem CID79337730
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-aminopropyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCCCN
InChIInChI=1S/C7H16N2O2/c1-3-9(2)7(10)11-6-4-5-8/h3-6,8H2,1-2H3
InChIKeyILIPMINHYUMHMK-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl N-ethyl-N-methylcarbamate?
The IUPAC name of 3-aminopropyl N-ethyl-N-methylcarbamate (CID 79337730) is 3-aminopropyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for 3-aminopropyl N-ethyl-N-methylcarbamate?
The canonical SMILES for 3-aminopropyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCCCN.
What is the InChIKey of 3-aminopropyl N-ethyl-N-methylcarbamate?
The InChIKey is ILIPMINHYUMHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-9(2)7(10)11-6-4-5-8/h3-6,8H2,1-2H3.
What are the key properties of 3-aminopropyl N-ethyl-N-methylcarbamate?
3-aminopropyl N-ethyl-N-methylcarbamate has a molecular weight of 160.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 79337730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).