2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine

C22H50N6 — CID 123476938

IUPAC2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine
SMILESCCCN(C)CCNCC(CN)(CCCC(=CCCN(C)C)CCNC)NC
InChIInChI=1S/C22H50N6/c1-7-16-28(6)18-15-26-20-22(19-23,25-3)13-8-10-21(12-14-24-2)11-9-17-27(4)5/h11,24-26H,7-10,12-20,23H2,1-6H3
InChIKeyZCVUOXUGWGUJGD-UHFFFAOYSA-N
MW398.68 g/mol
LogP1.49
Rot. Bonds19

About 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine

2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine (PubChem CID 123476938) has the molecular formula C22H50N6 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine.

Molecular Properties

Compound Name2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine
PubChem CID123476938
Molecular FormulaC22H50N6
Molecular Weight398.68 g/mol
Exact Mass398.41
IUPAC Name2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine
SMILESCCCN(C)CCNCC(CN)(CCCC(=CCCN(C)C)CCNC)NC
InChIInChI=1S/C22H50N6/c1-7-16-28(6)18-15-26-20-22(19-23,25-3)13-8-10-21(12-14-24-2)11-9-17-27(4)5/h11,24-26H,7-10,12-20,23H2,1-6H3
InChIKeyZCVUOXUGWGUJGD-UHFFFAOYSA-N
XLogP1.49
TPSA68.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine?
The IUPAC name of 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine (CID 123476938) is 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine.
What is the SMILES notation for 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine?
The canonical SMILES for 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine is CCCN(C)CCNCC(CN)(CCCC(=CCCN(C)C)CCNC)NC.
What is the InChIKey of 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine?
The InChIKey is ZCVUOXUGWGUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N6/c1-7-16-28(6)18-15-26-20-22(19-23,25-3)13-8-10-21(12-14-24-2)11-9-17-27(4)5/h11,24-26H,7-10,12-20,23H2,1-6H3.
What are the key properties of 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine?
2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine has a molecular weight of 398.68 g/mol, XLogP of 1.49, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N,9-N-trimethyl-6-[2-(methylamino)ethyl]-2-[[2-[methyl(propyl)amino]ethylamino]methyl]non-6-ene-1,2,9-triamine is sourced from PubChem (CID 123476938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).