3-propoxypropyl N,N-dimethylcarbamate

C9H19NO3 — CID 15520778

IUPAC3-propoxypropyl N,N-dimethylcarbamate
SMILESCCCOCCCOC(=O)N(C)C
InChIInChI=1S/C9H19NO3/c1-4-6-12-7-5-8-13-9(11)10(2)3/h4-8H2,1-3H3
InChIKeyMEALMIVFRNHASE-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.50
Rot. Bonds6

About 3-propoxypropyl N,N-dimethylcarbamate

3-propoxypropyl N,N-dimethylcarbamate (PubChem CID 15520778) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-propoxypropyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name3-propoxypropyl N,N-dimethylcarbamate
PubChem CID15520778
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-propoxypropyl N,N-dimethylcarbamate
SMILESCCCOCCCOC(=O)N(C)C
InChIInChI=1S/C9H19NO3/c1-4-6-12-7-5-8-13-9(11)10(2)3/h4-8H2,1-3H3
InChIKeyMEALMIVFRNHASE-UHFFFAOYSA-N
XLogP1.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
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-propoxypropyl N,N-dimethylcarbamate?
The IUPAC name of 3-propoxypropyl N,N-dimethylcarbamate (CID 15520778) is 3-propoxypropyl N,N-dimethylcarbamate.
What is the SMILES notation for 3-propoxypropyl N,N-dimethylcarbamate?
The canonical SMILES for 3-propoxypropyl N,N-dimethylcarbamate is CCCOCCCOC(=O)N(C)C.
What is the InChIKey of 3-propoxypropyl N,N-dimethylcarbamate?
The InChIKey is MEALMIVFRNHASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-6-12-7-5-8-13-9(11)10(2)3/h4-8H2,1-3H3.
What are the key properties of 3-propoxypropyl N,N-dimethylcarbamate?
3-propoxypropyl N,N-dimethylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxypropyl N,N-dimethylcarbamate is sourced from PubChem (CID 15520778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).