2-methylpropyl N,N-bis(methoxymethyl)carbamate

C9H19NO4 — CID 21290385

IUPAC2-methylpropyl N,N-bis(methoxymethyl)carbamate
SMILESCOCN(COC)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO4/c1-8(2)5-14-9(11)10(6-12-3)7-13-4/h8H,5-7H2,1-4H3
InChIKeyRKVJGUAZOAITRH-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.29
Rot. Bonds6

About 2-methylpropyl N,N-bis(methoxymethyl)carbamate

2-methylpropyl N,N-bis(methoxymethyl)carbamate (PubChem CID 21290385) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-methylpropyl N,N-bis(methoxymethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-bis(methoxymethyl)carbamate
PubChem CID21290385
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-methylpropyl N,N-bis(methoxymethyl)carbamate
SMILESCOCN(COC)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO4/c1-8(2)5-14-9(11)10(6-12-3)7-13-4/h8H,5-7H2,1-4H3
InChIKeyRKVJGUAZOAITRH-UHFFFAOYSA-N
XLogP1.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-bis(methoxymethyl)carbamate?
The IUPAC name of 2-methylpropyl N,N-bis(methoxymethyl)carbamate (CID 21290385) is 2-methylpropyl N,N-bis(methoxymethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N,N-bis(methoxymethyl)carbamate?
The canonical SMILES for 2-methylpropyl N,N-bis(methoxymethyl)carbamate is COCN(COC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N,N-bis(methoxymethyl)carbamate?
The InChIKey is RKVJGUAZOAITRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(2)5-14-9(11)10(6-12-3)7-13-4/h8H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl N,N-bis(methoxymethyl)carbamate?
2-methylpropyl N,N-bis(methoxymethyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-bis(methoxymethyl)carbamate is sourced from PubChem (CID 21290385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).