1-N,1-N'-diethylethane-1,1-diamine;molecular iodine

C6H16I2N2 — CID 162034687

IUPAC1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
SMILESCCNC(C)NCC.II
InChIInChI=1S/C6H16N2.I2/c1-4-7-6(3)8-5-2;1-2/h6-8H,4-5H2,1-3H3;
InChIKeyYWMLPUVRWDWLPE-UHFFFAOYSA-N
MW370.02 g/mol
LogP2.32
Rot. Bonds4

About 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine

1-N,1-N'-diethylethane-1,1-diamine;molecular iodine (PubChem CID 162034687) has the molecular formula C6H16I2N2 and a molecular weight of 370.02 g/mol. Its IUPAC name is 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine.

Molecular Properties

Compound Name1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
PubChem CID162034687
Molecular FormulaC6H16I2N2
Molecular Weight370.02 g/mol
Exact Mass369.94
IUPAC Name1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
SMILESCCNC(C)NCC.II
InChIInChI=1S/C6H16N2.I2/c1-4-7-6(3)8-5-2;1-2/h6-8H,4-5H2,1-3H3;
InChIKeyYWMLPUVRWDWLPE-UHFFFAOYSA-N
XLogP2.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.02
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine?
The IUPAC name of 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine (CID 162034687) is 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine.
What is the SMILES notation for 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine?
The canonical SMILES for 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine is CCNC(C)NCC.II.
What is the InChIKey of 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine?
The InChIKey is YWMLPUVRWDWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.I2/c1-4-7-6(3)8-5-2;1-2/h6-8H,4-5H2,1-3H3;.
What are the key properties of 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine?
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine has a molecular weight of 370.02 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-diethylethane-1,1-diamine;molecular iodine is sourced from PubChem (CID 162034687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).