benzene;ethyl N-propylcarbamate;N-methylmethanamine

C14H26N2O2 — CID 67791238

IUPACbenzene;ethyl N-propylcarbamate;N-methylmethanamine
SMILESCCCNC(=O)OCC.CNC.c1ccccc1
InChIInChI=1S/C6H13NO2.C6H6.C2H7N/c1-3-5-7-6(8)9-4-2;1-2-4-6-5-3-1;1-3-2/h3-5H2,1-2H3,(H,7,8);1-6H;3H,1-2H3
InChIKeyWSZLNQLKKXEISN-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.66
Rot. Bonds3

About benzene;ethyl N-propylcarbamate;N-methylmethanamine

benzene;ethyl N-propylcarbamate;N-methylmethanamine (PubChem CID 67791238) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is benzene;ethyl N-propylcarbamate;N-methylmethanamine.

Molecular Properties

Compound Namebenzene;ethyl N-propylcarbamate;N-methylmethanamine
PubChem CID67791238
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namebenzene;ethyl N-propylcarbamate;N-methylmethanamine
SMILESCCCNC(=O)OCC.CNC.c1ccccc1
InChIInChI=1S/C6H13NO2.C6H6.C2H7N/c1-3-5-7-6(8)9-4-2;1-2-4-6-5-3-1;1-3-2/h3-5H2,1-2H3,(H,7,8);1-6H;3H,1-2H3
InChIKeyWSZLNQLKKXEISN-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl N-propylcarbamate;N-methylmethanamine?
The IUPAC name of benzene;ethyl N-propylcarbamate;N-methylmethanamine (CID 67791238) is benzene;ethyl N-propylcarbamate;N-methylmethanamine.
What is the SMILES notation for benzene;ethyl N-propylcarbamate;N-methylmethanamine?
The canonical SMILES for benzene;ethyl N-propylcarbamate;N-methylmethanamine is CCCNC(=O)OCC.CNC.c1ccccc1.
What is the InChIKey of benzene;ethyl N-propylcarbamate;N-methylmethanamine?
The InChIKey is WSZLNQLKKXEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C6H6.C2H7N/c1-3-5-7-6(8)9-4-2;1-2-4-6-5-3-1;1-3-2/h3-5H2,1-2H3,(H,7,8);1-6H;3H,1-2H3.
What are the key properties of benzene;ethyl N-propylcarbamate;N-methylmethanamine?
benzene;ethyl N-propylcarbamate;N-methylmethanamine has a molecular weight of 254.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-propylcarbamate;N-methylmethanamine is sourced from PubChem (CID 67791238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).