5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine

C18H42N4 — CID 90889104

IUPAC5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine
SMILESCNCCCCC(CCN(C)C)C(CCCN(C)C)CNC
InChIInChI=1S/C18H42N4/c1-19-13-8-7-10-17(12-15-22(5)6)18(16-20-2)11-9-14-21(3)4/h17-20H,7-16H2,1-6H3
InChIKeyFEZYPIZTBKGXSB-UHFFFAOYSA-N
MW314.56 g/mol
LogP2.12
Rot. Bonds15

About 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine

5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine (PubChem CID 90889104) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine
PubChem CID90889104
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC Name5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine
SMILESCNCCCCC(CCN(C)C)C(CCCN(C)C)CNC
InChIInChI=1S/C18H42N4/c1-19-13-8-7-10-17(12-15-22(5)6)18(16-20-2)11-9-14-21(3)4/h17-20H,7-16H2,1-6H3
InChIKeyFEZYPIZTBKGXSB-UHFFFAOYSA-N
XLogP2.12
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine (CID 90889104) is 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine is CNCCCCC(CCN(C)C)C(CCCN(C)C)CNC.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine?
The InChIKey is FEZYPIZTBKGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c1-19-13-8-7-10-17(12-15-22(5)6)18(16-20-2)11-9-14-21(3)4/h17-20H,7-16H2,1-6H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine?
5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine has a molecular weight of 314.56 g/mol, XLogP of 2.12, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine is sourced from PubChem (CID 90889104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).