[3-methyl-2-(methylamino)butyl] carbamate

C7H16N2O2 — CID 174859482

IUPAC[3-methyl-2-(methylamino)butyl] carbamate
SMILESCNC(COC(N)=O)C(C)C
InChIInChI=1S/C7H16N2O2/c1-5(2)6(9-3)4-11-7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)
InChIKeySKXFWWUOHJBOGI-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.33
Rot. Bonds4

About [3-methyl-2-(methylamino)butyl] carbamate

[3-methyl-2-(methylamino)butyl] carbamate (PubChem CID 174859482) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [3-methyl-2-(methylamino)butyl] carbamate.

Molecular Properties

Compound Name[3-methyl-2-(methylamino)butyl] carbamate
PubChem CID174859482
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[3-methyl-2-(methylamino)butyl] carbamate
SMILESCNC(COC(N)=O)C(C)C
InChIInChI=1S/C7H16N2O2/c1-5(2)6(9-3)4-11-7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)
InChIKeySKXFWWUOHJBOGI-UHFFFAOYSA-N
XLogP0.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(methylamino)butyl] carbamate?
The IUPAC name of [3-methyl-2-(methylamino)butyl] carbamate (CID 174859482) is [3-methyl-2-(methylamino)butyl] carbamate.
What is the SMILES notation for [3-methyl-2-(methylamino)butyl] carbamate?
The canonical SMILES for [3-methyl-2-(methylamino)butyl] carbamate is CNC(COC(N)=O)C(C)C.
What is the InChIKey of [3-methyl-2-(methylamino)butyl] carbamate?
The InChIKey is SKXFWWUOHJBOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)6(9-3)4-11-7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10).
What are the key properties of [3-methyl-2-(methylamino)butyl] carbamate?
[3-methyl-2-(methylamino)butyl] carbamate has a molecular weight of 160.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(methylamino)butyl] carbamate is sourced from PubChem (CID 174859482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).