N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine

C8H18N8 — CID 91379196

IUPACN,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN=[N+]=[N-])CCN(C)CCN=[N+]=[N-]
InChIInChI=1S/C8H18N8/c1-15(5-3-11-13-9)7-8-16(2)6-4-12-14-10/h3-8H2,1-2H3
InChIKeyHZNQIRCYKHAZEU-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.47
Rot. Bonds9

About N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 91379196) has the molecular formula C8H18N8 and a molecular weight of 226.29 g/mol. Its IUPAC name is N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID91379196
Molecular FormulaC8H18N8
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN=[N+]=[N-])CCN(C)CCN=[N+]=[N-]
InChIInChI=1S/C8H18N8/c1-15(5-3-11-13-9)7-8-16(2)6-4-12-14-10/h3-8H2,1-2H3
InChIKeyHZNQIRCYKHAZEU-UHFFFAOYSA-N
XLogP1.47
TPSA104.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine (CID 91379196) is N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine is CN(CCN=[N+]=[N-])CCN(C)CCN=[N+]=[N-].
What is the InChIKey of N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HZNQIRCYKHAZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N8/c1-15(5-3-11-13-9)7-8-16(2)6-4-12-14-10/h3-8H2,1-2H3.
What are the key properties of N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 1.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91379196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).