benzene;ethyl N-hexylcarbamate;N-methylmethanamine

C17H32N2O2 — CID 67791306

IUPACbenzene;ethyl N-hexylcarbamate;N-methylmethanamine
SMILESCCCCCCNC(=O)OCC.CNC.c1ccccc1
InChIInChI=1S/C9H19NO2.C6H6.C2H7N/c1-3-5-6-7-8-10-9(11)12-4-2;1-2-4-6-5-3-1;1-3-2/h3-8H2,1-2H3,(H,10,11);1-6H;3H,1-2H3
InChIKeyDFBHPKVFODMWBN-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.84
Rot. Bonds6

About benzene;ethyl N-hexylcarbamate;N-methylmethanamine

benzene;ethyl N-hexylcarbamate;N-methylmethanamine (PubChem CID 67791306) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is benzene;ethyl N-hexylcarbamate;N-methylmethanamine.

Molecular Properties

Compound Namebenzene;ethyl N-hexylcarbamate;N-methylmethanamine
PubChem CID67791306
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Namebenzene;ethyl N-hexylcarbamate;N-methylmethanamine
SMILESCCCCCCNC(=O)OCC.CNC.c1ccccc1
InChIInChI=1S/C9H19NO2.C6H6.C2H7N/c1-3-5-6-7-8-10-9(11)12-4-2;1-2-4-6-5-3-1;1-3-2/h3-8H2,1-2H3,(H,10,11);1-6H;3H,1-2H3
InChIKeyDFBHPKVFODMWBN-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl N-hexylcarbamate;N-methylmethanamine?
The IUPAC name of benzene;ethyl N-hexylcarbamate;N-methylmethanamine (CID 67791306) is benzene;ethyl N-hexylcarbamate;N-methylmethanamine.
What is the SMILES notation for benzene;ethyl N-hexylcarbamate;N-methylmethanamine?
The canonical SMILES for benzene;ethyl N-hexylcarbamate;N-methylmethanamine is CCCCCCNC(=O)OCC.CNC.c1ccccc1.
What is the InChIKey of benzene;ethyl N-hexylcarbamate;N-methylmethanamine?
The InChIKey is DFBHPKVFODMWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C6H6.C2H7N/c1-3-5-6-7-8-10-9(11)12-4-2;1-2-4-6-5-3-1;1-3-2/h3-8H2,1-2H3,(H,10,11);1-6H;3H,1-2H3.
What are the key properties of benzene;ethyl N-hexylcarbamate;N-methylmethanamine?
benzene;ethyl N-hexylcarbamate;N-methylmethanamine has a molecular weight of 296.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-hexylcarbamate;N-methylmethanamine is sourced from PubChem (CID 67791306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).