(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine

C9H21N3 — CID 12662339

IUPAC(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine
SMILESCN(C)/C=C/C(N(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-10(2)8-7-9(11(3)4)12(5)6/h7-9H,1-6H3/b8-7+
InChIKeyXYLLGUASQGAIRA-BQYQJAHWSA-N
MW171.29 g/mol
LogP0.51
Rot. Bonds4

About (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine

(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine (PubChem CID 12662339) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine.

Molecular Properties

Compound Name(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine
PubChem CID12662339
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine
SMILESCN(C)/C=C/C(N(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-10(2)8-7-9(11(3)4)12(5)6/h7-9H,1-6H3/b8-7+
InChIKeyXYLLGUASQGAIRA-BQYQJAHWSA-N
XLogP0.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine?
The IUPAC name of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine (CID 12662339) is (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine.
What is the SMILES notation for (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine?
The canonical SMILES for (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine is CN(C)/C=C/C(N(C)C)N(C)C.
What is the InChIKey of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine?
The InChIKey is XYLLGUASQGAIRA-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H21N3/c1-10(2)8-7-9(11(3)4)12(5)6/h7-9H,1-6H3/b8-7+.
What are the key properties of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine?
(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine has a molecular weight of 171.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine is sourced from PubChem (CID 12662339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).