1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine

C17H38N2 — CID 12566617

IUPAC1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine
SMILESCCCCCCCCC(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H38N2/c1-6-11-12-13-14-15-16-17(18(7-2)8-3)19(9-4)10-5/h17H,6-16H2,1-5H3
InChIKeyXTKLFCLOKULKOU-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.75
Rot. Bonds13

About 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine

1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine (PubChem CID 12566617) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine
PubChem CID12566617
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine
SMILESCCCCCCCCC(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H38N2/c1-6-11-12-13-14-15-16-17(18(7-2)8-3)19(9-4)10-5/h17H,6-16H2,1-5H3
InChIKeyXTKLFCLOKULKOU-UHFFFAOYSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine (CID 12566617) is 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine is CCCCCCCCC(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine?
The InChIKey is XTKLFCLOKULKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-6-11-12-13-14-15-16-17(18(7-2)8-3)19(9-4)10-5/h17H,6-16H2,1-5H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.75, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethylnonane-1,1-diamine is sourced from PubChem (CID 12566617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).