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

C10H24N2O — CID 143976453

IUPAC3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCOCCN(C)C(C)CCN(C)C
InChIInChI=1S/C10H24N2O/c1-10(6-7-11(2)3)12(4)8-9-13-5/h10H,6-9H2,1-5H3
InChIKeyLJHOTIKEAUGAMT-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.90
Rot. Bonds7

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

3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 143976453) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID143976453
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCOCCN(C)C(C)CCN(C)C
InChIInChI=1S/C10H24N2O/c1-10(6-7-11(2)3)12(4)8-9-13-5/h10H,6-9H2,1-5H3
InChIKeyLJHOTIKEAUGAMT-UHFFFAOYSA-N
XLogP0.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 143976453) is 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is COCCN(C)C(C)CCN(C)C.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is LJHOTIKEAUGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-10(6-7-11(2)3)12(4)8-9-13-5/h10H,6-9H2,1-5H3.
What are the key properties of 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 143976453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).