hexyl N-ethylcarbamate;pyridine

C14H24N2O2 — CID 137370460

IUPAChexyl N-ethylcarbamate;pyridine
SMILESCCCCCCOC(=O)NCC.c1ccncc1
InChIInChI=1S/C9H19NO2.C5H5N/c1-3-5-6-7-8-12-9(11)10-4-2;1-2-4-6-5-3-1/h3-8H2,1-2H3,(H,10,11);1-5H
InChIKeyRKDKXNRJQUYKPM-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.39
Rot. Bonds6

About hexyl N-ethylcarbamate;pyridine

hexyl N-ethylcarbamate;pyridine (PubChem CID 137370460) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is hexyl N-ethylcarbamate;pyridine.

Molecular Properties

Compound Namehexyl N-ethylcarbamate;pyridine
PubChem CID137370460
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namehexyl N-ethylcarbamate;pyridine
SMILESCCCCCCOC(=O)NCC.c1ccncc1
InChIInChI=1S/C9H19NO2.C5H5N/c1-3-5-6-7-8-12-9(11)10-4-2;1-2-4-6-5-3-1/h3-8H2,1-2H3,(H,10,11);1-5H
InChIKeyRKDKXNRJQUYKPM-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonadecyl acetate;pyridine
CID 70392562
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
undecyl N-octylcarbamate
CID 168918698
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
octadecyl N-propylcarbamate
CID 175015942
hexyl N-tetradecylcarbamate
CID 91739120
hexane;propan-2-one;pyridine
CID 66842615
azane;octyl N-octylcarbamate
CID 175531380
hexadecyl 2-hydroxybenzoate;pyridine
CID 70399762
3-(octoxycarbonylamino)propanoic acid
CID 11096866
pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392

Frequently Asked Questions

What is the IUPAC name of hexyl N-ethylcarbamate;pyridine?
The IUPAC name of hexyl N-ethylcarbamate;pyridine (CID 137370460) is hexyl N-ethylcarbamate;pyridine.
What is the SMILES notation for hexyl N-ethylcarbamate;pyridine?
The canonical SMILES for hexyl N-ethylcarbamate;pyridine is CCCCCCOC(=O)NCC.c1ccncc1.
What is the InChIKey of hexyl N-ethylcarbamate;pyridine?
The InChIKey is RKDKXNRJQUYKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C5H5N/c1-3-5-6-7-8-12-9(11)10-4-2;1-2-4-6-5-3-1/h3-8H2,1-2H3,(H,10,11);1-5H.
What are the key properties of hexyl N-ethylcarbamate;pyridine?
hexyl N-ethylcarbamate;pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-ethylcarbamate;pyridine is sourced from PubChem (CID 137370460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).