1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine

C11H26N2O2 — CID 64679532

IUPAC1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine
SMILESCOCCN(CCOC)CCC(C)(C)N
InChIInChI=1S/C11H26N2O2/c1-11(2,12)5-6-13(7-9-14-3)8-10-15-4/h5-10,12H2,1-4H3
InChIKeyFNVMFOWHZJODCC-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.71
Rot. Bonds9

About 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine

1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine (PubChem CID 64679532) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine
PubChem CID64679532
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine
SMILESCOCCN(CCOC)CCC(C)(C)N
InChIInChI=1S/C11H26N2O2/c1-11(2,12)5-6-13(7-9-14-3)8-10-15-4/h5-10,12H2,1-4H3
InChIKeyFNVMFOWHZJODCC-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine (CID 64679532) is 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine is COCCN(CCOC)CCC(C)(C)N.
What is the InChIKey of 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine?
The InChIKey is FNVMFOWHZJODCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-11(2,12)5-6-13(7-9-14-3)8-10-15-4/h5-10,12H2,1-4H3.
What are the key properties of 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine?
1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 64679532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).