N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine

C7H17N5 — CID 167358675

IUPACN-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCCN=[N+]=[N-]
InChIInChI=1S/C7H17N5/c1-3-12(2)7-6-9-4-5-10-11-8/h9H,3-7H2,1-2H3
InChIKeyLQCYKWFJNKWLMY-UHFFFAOYSA-N
MW171.25 g/mol
LogP0.84
Rot. Bonds7

About N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 167358675) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID167358675
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC NameN-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCCN=[N+]=[N-]
InChIInChI=1S/C7H17N5/c1-3-12(2)7-6-9-4-5-10-11-8/h9H,3-7H2,1-2H3
InChIKeyLQCYKWFJNKWLMY-UHFFFAOYSA-N
XLogP0.84
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 167358675) is N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is LQCYKWFJNKWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c1-3-12(2)7-6-9-4-5-10-11-8/h9H,3-7H2,1-2H3.
What are the key properties of N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 171.25 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 167358675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).