ethyl N-(propylamino)carbamate

C6H14N2O2 — CID 88968739

IUPACethyl N-(propylamino)carbamate
SMILESCCCNNC(=O)OCC
InChIInChI=1S/C6H14N2O2/c1-3-5-7-8-6(9)10-4-2/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyVWNAHDHNRUWMKM-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.65
Rot. Bonds4

About ethyl N-(propylamino)carbamate

ethyl N-(propylamino)carbamate (PubChem CID 88968739) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl N-(propylamino)carbamate.

Molecular Properties

Compound Nameethyl N-(propylamino)carbamate
PubChem CID88968739
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameethyl N-(propylamino)carbamate
SMILESCCCNNC(=O)OCC
InChIInChI=1S/C6H14N2O2/c1-3-5-7-8-6(9)10-4-2/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyVWNAHDHNRUWMKM-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2-aminoethylamino)carbamate
CID 134311496
ethyl N-propylcarbamate
CID 12199
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-(2,2-dimethylbutylamino)carbamate
CID 89257076
ethyl N-(methylcarbamoylamino)carbamate
CID 568737
ethyl N-hydroxycarbamate
CID 11510
ethyl N-[2-(2-nitrophenyl)ethylamino]carbamate
CID 70036297
ethyl N-iodocarbamate
CID 21443578
CID 88818502
CID 88818502
methyl N-(hexylamino)carbamate
CID 141204686
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethoxycarbonylsulfamoyl(triethyl)azanium
CID 4666391

Frequently Asked Questions

What is the IUPAC name of ethyl N-(propylamino)carbamate?
The IUPAC name of ethyl N-(propylamino)carbamate (CID 88968739) is ethyl N-(propylamino)carbamate.
What is the SMILES notation for ethyl N-(propylamino)carbamate?
The canonical SMILES for ethyl N-(propylamino)carbamate is CCCNNC(=O)OCC.
What is the InChIKey of ethyl N-(propylamino)carbamate?
The InChIKey is VWNAHDHNRUWMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-5-7-8-6(9)10-4-2/h7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of ethyl N-(propylamino)carbamate?
ethyl N-(propylamino)carbamate has a molecular weight of 146.19 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(propylamino)carbamate is sourced from PubChem (CID 88968739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).