N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine

C8H16N4O — CID 61452045

IUPACN-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CCN=[N+]=[N-])C1CC1
InChIInChI=1S/C8H16N4O/c1-13-7-6-12(8-2-3-8)5-4-10-11-9/h8H,2-7H2,1H3
InChIKeyIRCLRDVZIUDFKZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.41
Rot. Bonds7

About N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine

N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 61452045) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine
PubChem CID61452045
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CCN=[N+]=[N-])C1CC1
InChIInChI=1S/C8H16N4O/c1-13-7-6-12(8-2-3-8)5-4-10-11-9/h8H,2-7H2,1H3
InChIKeyIRCLRDVZIUDFKZ-UHFFFAOYSA-N
XLogP1.41
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine (CID 61452045) is N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine is COCCN(CCN=[N+]=[N-])C1CC1.
What is the InChIKey of N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is IRCLRDVZIUDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-13-7-6-12(8-2-3-8)5-4-10-11-9/h8H,2-7H2,1H3.
What are the key properties of N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine?
N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 184.24 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 61452045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).