octyl N-aminocarbamate

C9H20N2O2 — CID 129323256

IUPACoctyl N-aminocarbamate
SMILESCCCCCCCCOC(=O)NN
InChIInChI=1S/C9H20N2O2/c1-2-3-4-5-6-7-8-13-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyGUNYCYYPDJWVSY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.95
Rot. Bonds7

About octyl N-aminocarbamate

octyl N-aminocarbamate (PubChem CID 129323256) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is octyl N-aminocarbamate.

Molecular Properties

Compound Nameoctyl N-aminocarbamate
PubChem CID129323256
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameoctyl N-aminocarbamate
SMILESCCCCCCCCOC(=O)NN
InChIInChI=1S/C9H20N2O2/c1-2-3-4-5-6-7-8-13-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyGUNYCYYPDJWVSY-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

henicosyl N-aminocarbamate
CID 174861039
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
azane;octyl N-octylcarbamate
CID 175531380
dioctyl propanedioate;titanium
CID 174779164
azane;dioctyl carbonate
CID 174626203
dodecoxycarbonylcarbamic acid
CID 19778443
hexyl N-tetradecylcarbamate
CID 91739120
methyl N-hexoxycarbonylcarbamate
CID 153299552
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
octadecyl N-propylcarbamate
CID 175015942

Frequently Asked Questions

What is the IUPAC name of octyl N-aminocarbamate?
The IUPAC name of octyl N-aminocarbamate (CID 129323256) is octyl N-aminocarbamate.
What is the SMILES notation for octyl N-aminocarbamate?
The canonical SMILES for octyl N-aminocarbamate is CCCCCCCCOC(=O)NN.
What is the InChIKey of octyl N-aminocarbamate?
The InChIKey is GUNYCYYPDJWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-3-4-5-6-7-8-13-9(12)11-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of octyl N-aminocarbamate?
octyl N-aminocarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-aminocarbamate is sourced from PubChem (CID 129323256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).