2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate

C9H20N2O3 — CID 103033540

IUPAC2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate
SMILESCOC(C)(C)CCNCCOC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,13-3)4-5-11-6-7-14-8(10)12/h11H,4-7H2,1-3H3,(H2,10,12)
InChIKeyRBMXLCZLXWXHKK-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.49
Rot. Bonds7

About 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate

2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate (PubChem CID 103033540) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate
PubChem CID103033540
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate
SMILESCOC(C)(C)CCNCCOC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,13-3)4-5-11-6-7-14-8(10)12/h11H,4-7H2,1-3H3,(H2,10,12)
InChIKeyRBMXLCZLXWXHKK-UHFFFAOYSA-N
XLogP0.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate (CID 103033540) is 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate is COC(C)(C)CCNCCOC(N)=O.
What is the InChIKey of 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate?
The InChIKey is RBMXLCZLXWXHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,13-3)4-5-11-6-7-14-8(10)12/h11H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate?
2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylbutyl)amino]ethyl carbamate is sourced from PubChem (CID 103033540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).