2,4,4-trimethylpentane-1,2,3,3-tetramine

C8H22N4 — CID 154154376

IUPAC2,4,4-trimethylpentane-1,2,3,3-tetramine
SMILESCC(C)(C)C(N)(N)C(C)(N)CN
InChIInChI=1S/C8H22N4/c1-6(2,3)8(11,12)7(4,10)5-9/h5,9-12H2,1-4H3
InChIKeyTUQICYAPGYROND-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.68
Rot. Bonds2

About 2,4,4-trimethylpentane-1,2,3,3-tetramine

2,4,4-trimethylpentane-1,2,3,3-tetramine (PubChem CID 154154376) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,4,4-trimethylpentane-1,2,3,3-tetramine.

Molecular Properties

Compound Name2,4,4-trimethylpentane-1,2,3,3-tetramine
PubChem CID154154376
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name2,4,4-trimethylpentane-1,2,3,3-tetramine
SMILESCC(C)(C)C(N)(N)C(C)(N)CN
InChIInChI=1S/C8H22N4/c1-6(2,3)8(11,12)7(4,10)5-9/h5,9-12H2,1-4H3
InChIKeyTUQICYAPGYROND-UHFFFAOYSA-N
XLogP-0.68
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
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 2,4,4-trimethylpentane-1,2,3,3-tetramine?
The IUPAC name of 2,4,4-trimethylpentane-1,2,3,3-tetramine (CID 154154376) is 2,4,4-trimethylpentane-1,2,3,3-tetramine.
What is the SMILES notation for 2,4,4-trimethylpentane-1,2,3,3-tetramine?
The canonical SMILES for 2,4,4-trimethylpentane-1,2,3,3-tetramine is CC(C)(C)C(N)(N)C(C)(N)CN.
What is the InChIKey of 2,4,4-trimethylpentane-1,2,3,3-tetramine?
The InChIKey is TUQICYAPGYROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-6(2,3)8(11,12)7(4,10)5-9/h5,9-12H2,1-4H3.
What are the key properties of 2,4,4-trimethylpentane-1,2,3,3-tetramine?
2,4,4-trimethylpentane-1,2,3,3-tetramine has a molecular weight of 174.29 g/mol, XLogP of -0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentane-1,2,3,3-tetramine is sourced from PubChem (CID 154154376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).