amino N-butyl-N-methylcarbamate

C6H14N2O2 — CID 143838747

IUPACamino N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)ON
InChIInChI=1S/C6H14N2O2/c1-3-4-5-8(2)6(9)10-7/h3-5,7H2,1-2H3
InChIKeyXQMYEYXNTKSWAZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.73
Rot. Bonds3

About amino N-butyl-N-methylcarbamate

amino N-butyl-N-methylcarbamate (PubChem CID 143838747) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is amino N-butyl-N-methylcarbamate.

Molecular Properties

Compound Nameamino N-butyl-N-methylcarbamate
PubChem CID143838747
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameamino N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)ON
InChIInChI=1S/C6H14N2O2/c1-3-4-5-8(2)6(9)10-7/h3-5,7H2,1-2H3
InChIKeyXQMYEYXNTKSWAZ-UHFFFAOYSA-N
XLogP0.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 172721921
ethyl N-methyl-N-octylcarbamate
CID 15790108
amino N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate
CID 172759167
undecyl N-methyl-N-pentylcarbamate
CID 54297307
3-iodoprop-2-ynyl N-butyl-N-methylcarbamate
CID 175437456
methyl N-hexyl-N-methylcarbamate
CID 14923771
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
pentyl N-methyl-N-propylcarbamate
CID 58662040
N-butyl-N-methylcarbamate
CID 23071400
N-butyl-N-methylacetamide;ethane
CID 142088805
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
phenyl N-butyl-N-methylcarbamate
CID 564973

Frequently Asked Questions

What is the IUPAC name of amino N-butyl-N-methylcarbamate?
The IUPAC name of amino N-butyl-N-methylcarbamate (CID 143838747) is amino N-butyl-N-methylcarbamate.
What is the SMILES notation for amino N-butyl-N-methylcarbamate?
The canonical SMILES for amino N-butyl-N-methylcarbamate is CCCCN(C)C(=O)ON.
What is the InChIKey of amino N-butyl-N-methylcarbamate?
The InChIKey is XQMYEYXNTKSWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-4-5-8(2)6(9)10-7/h3-5,7H2,1-2H3.
What are the key properties of amino N-butyl-N-methylcarbamate?
amino N-butyl-N-methylcarbamate has a molecular weight of 146.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-butyl-N-methylcarbamate is sourced from PubChem (CID 143838747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).