butyl N-ethyl-N-(methylamino)carbamate

C8H18N2O2 — CID 87167389

IUPACbutyl N-ethyl-N-(methylamino)carbamate
SMILESCCCCOC(=O)N(CC)NC
InChIInChI=1S/C8H18N2O2/c1-4-6-7-12-8(11)10(5-2)9-3/h9H,4-7H2,1-3H3
InChIKeyJSDBJVPBXXTRHM-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.38
Rot. Bonds5

About butyl N-ethyl-N-(methylamino)carbamate

butyl N-ethyl-N-(methylamino)carbamate (PubChem CID 87167389) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is butyl N-ethyl-N-(methylamino)carbamate.

Molecular Properties

Compound Namebutyl N-ethyl-N-(methylamino)carbamate
PubChem CID87167389
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namebutyl N-ethyl-N-(methylamino)carbamate
SMILESCCCCOC(=O)N(CC)NC
InChIInChI=1S/C8H18N2O2/c1-4-6-7-12-8(11)10(5-2)9-3/h9H,4-7H2,1-3H3
InChIKeyJSDBJVPBXXTRHM-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
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

butyl N-amino-N-ethylcarbamate
CID 87167247
butyl N,N-bis(sulfanyl)carbamate;nickel
CID 88645134
chloromethyl N-(methylamino)-N-propylcarbamate
CID 21361212
butyl N-butoxycarbonyl-N-(butoxycarbonylamino)carbamate
CID 141225317
butyl N-carbamothioyl-N-ethylcarbamate
CID 174602935
pentyl N,N-dimethylcarbamate
CID 18534522
butyl N-(butoxycarbonylamino)-N-[2-(hydroxymethyl)prop-2-enyl]carbamate
CID 155341223
butyl N,N-dicyclohexylcarbamate
CID 13416417
dotriacontyl N,N-dimethylcarbamate
CID 175802283
butyl 2-(methylamino)-2-oxoacetate
CID 88818995
heptyl N,N-dimethylcarbamate
CID 91542338
butyl hydrogen carbonate
CID 157271096

Frequently Asked Questions

What is the IUPAC name of butyl N-ethyl-N-(methylamino)carbamate?
The IUPAC name of butyl N-ethyl-N-(methylamino)carbamate (CID 87167389) is butyl N-ethyl-N-(methylamino)carbamate.
What is the SMILES notation for butyl N-ethyl-N-(methylamino)carbamate?
The canonical SMILES for butyl N-ethyl-N-(methylamino)carbamate is CCCCOC(=O)N(CC)NC.
What is the InChIKey of butyl N-ethyl-N-(methylamino)carbamate?
The InChIKey is JSDBJVPBXXTRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-6-7-12-8(11)10(5-2)9-3/h9H,4-7H2,1-3H3.
What are the key properties of butyl N-ethyl-N-(methylamino)carbamate?
butyl N-ethyl-N-(methylamino)carbamate has a molecular weight of 174.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-ethyl-N-(methylamino)carbamate is sourced from PubChem (CID 87167389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).