N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide

C20H25IN2 — CID 174826270

IUPACN,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide
SMILESCCN(CC)CCCc1cccc2ncc3ccccc3c12.I
InChIInChI=1S/C20H24N2.HI/c1-3-22(4-2)14-8-11-16-10-7-13-19-20(16)18-12-6-5-9-17(18)15-21-19;/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3;1H
InChIKeyULEFSQJVWYFTTR-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.28
Rot. Bonds6

About N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide

N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide (PubChem CID 174826270) has the molecular formula C20H25IN2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide.

Molecular Properties

Compound NameN,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide
PubChem CID174826270
Molecular FormulaC20H25IN2
Molecular Weight420.34 g/mol
Exact Mass420.11
IUPAC NameN,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide
SMILESCCN(CC)CCCc1cccc2ncc3ccccc3c12.I
InChIInChI=1S/C20H24N2.HI/c1-3-22(4-2)14-8-11-16-10-7-13-19-20(16)18-12-6-5-9-17(18)15-21-19;/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3;1H
InChIKeyULEFSQJVWYFTTR-UHFFFAOYSA-N
XLogP5.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide?
The IUPAC name of N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide (CID 174826270) is N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide.
What is the SMILES notation for N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide?
The canonical SMILES for N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide is CCN(CC)CCCc1cccc2ncc3ccccc3c12.I.
What is the InChIKey of N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide?
The InChIKey is ULEFSQJVWYFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.HI/c1-3-22(4-2)14-8-11-16-10-7-13-19-20(16)18-12-6-5-9-17(18)15-21-19;/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3;1H.
What are the key properties of N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide?
N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide is sourced from PubChem (CID 174826270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).