ethane;methyl N-[2-(dimethylamino)ethyl]carbamate

C8H20N2O2 — CID 156869212

IUPACethane;methyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCC.COC(=O)NCCN(C)C
InChIInChI=1S/C6H14N2O2.C2H6/c1-8(2)5-4-7-6(9)10-3;1-2/h4-5H2,1-3H3,(H,7,9);1-2H3
InChIKeyJFJJZZGHFUBSCO-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.93
Rot. Bonds3

About ethane;methyl N-[2-(dimethylamino)ethyl]carbamate

ethane;methyl N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 156869212) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;methyl N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethane;methyl N-[2-(dimethylamino)ethyl]carbamate
PubChem CID156869212
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Nameethane;methyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCC.COC(=O)NCCN(C)C
InChIInChI=1S/C6H14N2O2.C2H6/c1-8(2)5-4-7-6(9)10-3;1-2/h4-5H2,1-3H3,(H,7,9);1-2H3
InChIKeyJFJJZZGHFUBSCO-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of ethane;methyl N-[2-(dimethylamino)ethyl]carbamate (CID 156869212) is ethane;methyl N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for ethane;methyl N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for ethane;methyl N-[2-(dimethylamino)ethyl]carbamate is CC.COC(=O)NCCN(C)C.
What is the InChIKey of ethane;methyl N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is JFJJZZGHFUBSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H6/c1-8(2)5-4-7-6(9)10-3;1-2/h4-5H2,1-3H3,(H,7,9);1-2H3.
What are the key properties of ethane;methyl N-[2-(dimethylamino)ethyl]carbamate?
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 176.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 156869212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).