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

C12H30N2O — CID 144804911

IUPACethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCC.COCCN(C)C(C)CCN(C)C
InChIInChI=1S/C10H24N2O.C2H6/c1-10(6-7-11(2)3)12(4)8-9-13-5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeyOCJOQSQFZWUVFO-UHFFFAOYSA-N
MW218.38 g/mol
LogP1.93
Rot. Bonds7

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

ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 144804911) has the molecular formula C12H30N2O and a molecular weight of 218.38 g/mol. Its IUPAC name is ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Nameethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID144804911
Molecular FormulaC12H30N2O
Molecular Weight218.38 g/mol
Exact Mass218.24
IUPAC Nameethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCC.COCCN(C)C(C)CCN(C)C
InChIInChI=1S/C10H24N2O.C2H6/c1-10(6-7-11(2)3)12(4)8-9-13-5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeyOCJOQSQFZWUVFO-UHFFFAOYSA-N
XLogP1.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 239832
CID 239832
CID 20079969
CID 20079969
CID 23559570
CID 23559570
CID 23559583
CID 23559583
CID 58715651
CID 58715651
CID 59535628
CID 59535628
CID 57872308
CID 57872308
CID 143070864
CID 143070864
CID 575118
CID 575118
CID 85776061
CID 85776061
CID 71341208
CID 71341208
CID 46751
CID 46751

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 144804911) is ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CC.COCCN(C)C(C)CCN(C)C.
What is the InChIKey of ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is OCJOQSQFZWUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O.C2H6/c1-10(6-7-11(2)3)12(4)8-9-13-5;1-2/h10H,6-9H2,1-5H3;1-2H3.
What are the key properties of ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 218.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 144804911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).