ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine

C11H28N2O — CID 143976450

IUPACethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCC.CNCCC(C)N(C)CCOC
InChIInChI=1S/C9H22N2O.C2H6/c1-9(5-6-10-2)11(3)7-8-12-4;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyOGZXOGSSJSMGAY-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.59
Rot. Bonds7

About ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine

ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 143976450) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Nameethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID143976450
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Nameethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCC.CNCCC(C)N(C)CCOC
InChIInChI=1S/C9H22N2O.C2H6/c1-9(5-6-10-2)11(3)7-8-12-4;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyOGZXOGSSJSMGAY-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 143976450) is ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine is CC.CNCCC(C)N(C)CCOC.
What is the InChIKey of ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is OGZXOGSSJSMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O.C2H6/c1-9(5-6-10-2)11(3)7-8-12-4;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 204.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 143976450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).