tert-butyl N-(4-aminobutyl)-N-methylcarbamate

C10H22N2O2 — CID 2756377

IUPACtert-butyl N-(4-aminobutyl)-N-methylcarbamate
SMILESCN(CCCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3
InChIKeyCIZQQISFIQZTDF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.59
Rot. Bonds4

About tert-butyl N-(4-aminobutyl)-N-methylcarbamate

tert-butyl N-(4-aminobutyl)-N-methylcarbamate (PubChem CID 2756377) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-(4-aminobutyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminobutyl)-N-methylcarbamate
PubChem CID2756377
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-(4-aminobutyl)-N-methylcarbamate
SMILESCN(CCCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3
InChIKeyCIZQQISFIQZTDF-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.59
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-(4-aminobutyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-aminobutyl)-N-methylcarbamate (CID 2756377) is tert-butyl N-(4-aminobutyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-aminobutyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-aminobutyl)-N-methylcarbamate is CN(CCCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-aminobutyl)-N-methylcarbamate?
The InChIKey is CIZQQISFIQZTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3.
What are the key properties of tert-butyl N-(4-aminobutyl)-N-methylcarbamate?
tert-butyl N-(4-aminobutyl)-N-methylcarbamate has a molecular weight of 202.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminobutyl)-N-methylcarbamate is sourced from PubChem (CID 2756377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).