propyl N-nonylcarbamate

C13H27NO2 — CID 91709550

IUPACpropyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OCCC
InChIInChI=1S/C13H27NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKeyWLSOYNNSQNEKBS-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.87
Rot. Bonds10

About propyl N-nonylcarbamate

propyl N-nonylcarbamate (PubChem CID 91709550) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is propyl N-nonylcarbamate.

Molecular Properties

Compound Namepropyl N-nonylcarbamate
PubChem CID91709550
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namepropyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OCCC
InChIInChI=1S/C13H27NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKeyWLSOYNNSQNEKBS-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.87
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

propyl N-octylcarbamate
CID 18951449
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-heptylcarbamate
CID 124705283
2-bromoethyl N-octadecylcarbamate
CID 59133738
2-fluoroethyl N-hexylcarbamate
CID 87287131
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
octadecyl N-propylcarbamate
CID 175015942
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149

Frequently Asked Questions

What is the IUPAC name of propyl N-nonylcarbamate?
The IUPAC name of propyl N-nonylcarbamate (CID 91709550) is propyl N-nonylcarbamate.
What is the SMILES notation for propyl N-nonylcarbamate?
The canonical SMILES for propyl N-nonylcarbamate is CCCCCCCCCNC(=O)OCCC.
What is the InChIKey of propyl N-nonylcarbamate?
The InChIKey is WLSOYNNSQNEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h3-12H2,1-2H3,(H,14,15).
What are the key properties of propyl N-nonylcarbamate?
propyl N-nonylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-nonylcarbamate is sourced from PubChem (CID 91709550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).