tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate

C11H24N2O2 — CID 14185780

IUPACtert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate
SMILESCNCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13(5)9-7-6-8-12-4/h12H,6-9H2,1-5H3
InChIKeyFKJWKSFJVZBEEB-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.85
Rot. Bonds5

About tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate

tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate (PubChem CID 14185780) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate
PubChem CID14185780
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate
SMILESCNCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13(5)9-7-6-8-12-4/h12H,6-9H2,1-5H3
InChIKeyFKJWKSFJVZBEEB-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.85
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 tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate (CID 14185780) is tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate is CNCCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate?
The InChIKey is FKJWKSFJVZBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13(5)9-7-6-8-12-4/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate?
tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate is sourced from PubChem (CID 14185780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).