3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine

C13H32N4 — CID 18183759

IUPAC3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine
SMILESCCC(C(C)C(N)(N)C(CC)N(C)C)N(C)C
InChIInChI=1S/C13H32N4/c1-8-11(16(4)5)10(3)13(14,15)12(9-2)17(6)7/h10-12H,8-9,14-15H2,1-7H3
InChIKeyMMTGMZLENNCYDD-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.92
Rot. Bonds7

About 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine

3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine (PubChem CID 18183759) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine
PubChem CID18183759
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC Name3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine
SMILESCCC(C(C)C(N)(N)C(CC)N(C)C)N(C)C
InChIInChI=1S/C13H32N4/c1-8-11(16(4)5)10(3)13(14,15)12(9-2)17(6)7/h10-12H,8-9,14-15H2,1-7H3
InChIKeyMMTGMZLENNCYDD-UHFFFAOYSA-N
XLogP0.92
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
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 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine?
The IUPAC name of 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine (CID 18183759) is 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine.
What is the SMILES notation for 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine?
The canonical SMILES for 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine is CCC(C(C)C(N)(N)C(CC)N(C)C)N(C)C.
What is the InChIKey of 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine?
The InChIKey is MMTGMZLENNCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-8-11(16(4)5)10(3)13(14,15)12(9-2)17(6)7/h10-12H,8-9,14-15H2,1-7H3.
What are the key properties of 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine?
3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine has a molecular weight of 244.43 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine is sourced from PubChem (CID 18183759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).