N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine

C15H17N5 — CID 86032728

IUPACN-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILES[N-]=[N+]=NCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C15H17N5/c16-20-18-10-9-17-15-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10H2,(H,17,19)
InChIKeyANJRGTMSMVLPLB-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.84
Rot. Bonds4

About N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 86032728) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID86032728
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILES[N-]=[N+]=NCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C15H17N5/c16-20-18-10-9-17-15-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10H2,(H,17,19)
InChIKeyANJRGTMSMVLPLB-UHFFFAOYSA-N
XLogP3.84
TPSA73.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.84
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)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 86032728) is N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine is [N-]=[N+]=NCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is ANJRGTMSMVLPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-20-18-10-9-17-15-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10H2,(H,17,19).
What are the key properties of N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 267.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 86032728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).