3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine

C11H26N4 — CID 171483557

IUPAC3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine
SMILESCC(=C(N)C(N)(N)N)C(C)(C)C(C)(C)C
InChIInChI=1S/C11H26N4/c1-7(8(12)11(13,14)15)10(5,6)9(2,3)4/h12-15H2,1-6H3
InChIKeyPUYWCQQILDWSMC-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.82
Rot. Bonds2

About 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine

3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine (PubChem CID 171483557) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine.

Molecular Properties

Compound Name3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine
PubChem CID171483557
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine
SMILESCC(=C(N)C(N)(N)N)C(C)(C)C(C)(C)C
InChIInChI=1S/C11H26N4/c1-7(8(12)11(13,14)15)10(5,6)9(2,3)4/h12-15H2,1-6H3
InChIKeyPUYWCQQILDWSMC-UHFFFAOYSA-N
XLogP0.82
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.82
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 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine?
The IUPAC name of 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine (CID 171483557) is 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine.
What is the SMILES notation for 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine?
The canonical SMILES for 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine is CC(=C(N)C(N)(N)N)C(C)(C)C(C)(C)C.
What is the InChIKey of 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine?
The InChIKey is PUYWCQQILDWSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-7(8(12)11(13,14)15)10(5,6)9(2,3)4/h12-15H2,1-6H3.
What are the key properties of 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine?
3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine has a molecular weight of 214.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5-pentamethylhex-2-ene-1,1,1,2-tetramine is sourced from PubChem (CID 171483557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).