1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine

C11H28N4 — CID 87407012

IUPAC1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
SMILESCN(C)C(CC(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C11H28N4/c1-12(2)10(13(3)4)9-11(14(5)6)15(7)8/h10-11H,9H2,1-8H3
InChIKeyFGNZGMOAUDXCDF-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.28
Rot. Bonds6

About 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine

1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine (PubChem CID 87407012) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
PubChem CID87407012
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
SMILESCN(C)C(CC(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C11H28N4/c1-12(2)10(13(3)4)9-11(14(5)6)15(7)8/h10-11H,9H2,1-8H3
InChIKeyFGNZGMOAUDXCDF-UHFFFAOYSA-N
XLogP0.28
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine?
The IUPAC name of 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine (CID 87407012) is 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine?
The canonical SMILES for 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine is CN(C)C(CC(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine?
The InChIKey is FGNZGMOAUDXCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-12(2)10(13(3)4)9-11(14(5)6)15(7)8/h10-11H,9H2,1-8H3.
What are the key properties of 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine?
1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine has a molecular weight of 216.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine is sourced from PubChem (CID 87407012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).