1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine

C8H19N3 — CID 173451516

IUPAC1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine
SMILESCN(C)CC=CC(N)N(C)C
InChIInChI=1S/C8H19N3/c1-10(2)7-5-6-8(9)11(3)4/h5-6,8H,7,9H2,1-4H3
InChIKeyNUZFTZXAIFHDAR-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.05
Rot. Bonds4

About 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine

1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine (PubChem CID 173451516) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine.

Molecular Properties

Compound Name1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine
PubChem CID173451516
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine
SMILESCN(C)CC=CC(N)N(C)C
InChIInChI=1S/C8H19N3/c1-10(2)7-5-6-8(9)11(3)4/h5-6,8H,7,9H2,1-4H3
InChIKeyNUZFTZXAIFHDAR-UHFFFAOYSA-N
XLogP-0.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine?
The IUPAC name of 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine (CID 173451516) is 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine.
What is the SMILES notation for 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine?
The canonical SMILES for 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine is CN(C)CC=CC(N)N(C)C.
What is the InChIKey of 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine?
The InChIKey is NUZFTZXAIFHDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-10(2)7-5-6-8(9)11(3)4/h5-6,8H,7,9H2,1-4H3.
What are the key properties of 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine?
1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine has a molecular weight of 157.26 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine is sourced from PubChem (CID 173451516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).