N-ethyl-N-hexylcarbamate

C9H18NO2- — CID 53442022

IUPACN-ethyl-N-hexylcarbamate
SMILESCCCCCCN(CC)C(=O)[O-]
InChIInChI=1S/C9H19NO2/c1-3-5-6-7-8-10(4-2)9(11)12/h3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyYUCBRFCXEBQDQU-UHFFFAOYSA-M
MW172.25 g/mol
LogP1.23
Rot. Bonds6

About N-ethyl-N-hexylcarbamate

N-ethyl-N-hexylcarbamate (PubChem CID 53442022) has the molecular formula C9H18NO2- and a molecular weight of 172.25 g/mol. Its IUPAC name is N-ethyl-N-hexylcarbamate.

Molecular Properties

Compound NameN-ethyl-N-hexylcarbamate
PubChem CID53442022
Molecular FormulaC9H18NO2-
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC NameN-ethyl-N-hexylcarbamate
SMILESCCCCCCN(CC)C(=O)[O-]
InChIInChI=1S/C9H19NO2/c1-3-5-6-7-8-10(4-2)9(11)12/h3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyYUCBRFCXEBQDQU-UHFFFAOYSA-M
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
N-ethyl-N-octylbutanamide
CID 138793187
N,N,N',N'-tetrahexyloxamide
CID 6424911
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
di(undecyl)carbamothioic S-acid
CID 87619632
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N-butyl-N-heptylacetamide
CID 91713167
didodecylcarbamothioic S-acid
CID 87178989
N'-ethyl-N'-hexylpropanediamide
CID 174895850

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexylcarbamate?
The IUPAC name of N-ethyl-N-hexylcarbamate (CID 53442022) is N-ethyl-N-hexylcarbamate.
What is the SMILES notation for N-ethyl-N-hexylcarbamate?
The canonical SMILES for N-ethyl-N-hexylcarbamate is CCCCCCN(CC)C(=O)[O-].
What is the InChIKey of N-ethyl-N-hexylcarbamate?
The InChIKey is YUCBRFCXEBQDQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO2/c1-3-5-6-7-8-10(4-2)9(11)12/h3-8H2,1-2H3,(H,11,12)/p-1.
What are the key properties of N-ethyl-N-hexylcarbamate?
N-ethyl-N-hexylcarbamate has a molecular weight of 172.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexylcarbamate is sourced from PubChem (CID 53442022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).