ethyl N-pentylcarbamate;molecular hydrogen

C8H19NO2 — CID 144707545

IUPACethyl N-pentylcarbamate;molecular hydrogen
SMILESCCCCCNC(=O)OCC.[H][H]
InChIInChI=1S/C8H17NO2.H2/c1-3-5-6-7-9-8(10)11-4-2;/h3-7H2,1-2H3,(H,9,10);1H
InChIKeyKHJNEKXKJAIHQA-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.17
Rot. Bonds5

About ethyl N-pentylcarbamate;molecular hydrogen

ethyl N-pentylcarbamate;molecular hydrogen (PubChem CID 144707545) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethyl N-pentylcarbamate;molecular hydrogen.

Molecular Properties

Compound Nameethyl N-pentylcarbamate;molecular hydrogen
PubChem CID144707545
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethyl N-pentylcarbamate;molecular hydrogen
SMILESCCCCCNC(=O)OCC.[H][H]
InChIInChI=1S/C8H17NO2.H2/c1-3-5-6-7-9-8(10)11-4-2;/h3-7H2,1-2H3,(H,9,10);1H
InChIKeyKHJNEKXKJAIHQA-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-propylcarbamate
CID 12199
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
amino N-pentylcarbamate
CID 87397923
ethyl N-(6-bromohexyl)carbamate
CID 87279639
chloromethyl N-decylcarbamate
CID 177224854
azane;octyl N-octylcarbamate
CID 175531380

Frequently Asked Questions

What is the IUPAC name of ethyl N-pentylcarbamate;molecular hydrogen?
The IUPAC name of ethyl N-pentylcarbamate;molecular hydrogen (CID 144707545) is ethyl N-pentylcarbamate;molecular hydrogen.
What is the SMILES notation for ethyl N-pentylcarbamate;molecular hydrogen?
The canonical SMILES for ethyl N-pentylcarbamate;molecular hydrogen is CCCCCNC(=O)OCC.[H][H].
What is the InChIKey of ethyl N-pentylcarbamate;molecular hydrogen?
The InChIKey is KHJNEKXKJAIHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.H2/c1-3-5-6-7-9-8(10)11-4-2;/h3-7H2,1-2H3,(H,9,10);1H.
What are the key properties of ethyl N-pentylcarbamate;molecular hydrogen?
ethyl N-pentylcarbamate;molecular hydrogen has a molecular weight of 161.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pentylcarbamate;molecular hydrogen is sourced from PubChem (CID 144707545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).