4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide

C20H25IN2 — CID 174826272

IUPAC4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide
SMILESCCC(C)C(N)(CC)c1cccc2ncc3ccccc3c12.I
InChIInChI=1S/C20H24N2.HI/c1-4-14(3)20(21,5-2)17-11-8-12-18-19(17)16-10-7-6-9-15(16)13-22-18;/h6-14H,4-5,21H2,1-3H3;1H
InChIKeyOXSYIDYQWBSSJO-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.62
Rot. Bonds4

About 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide

4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide (PubChem CID 174826272) has the molecular formula C20H25IN2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide.

Molecular Properties

Compound Name4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide
PubChem CID174826272
Molecular FormulaC20H25IN2
Molecular Weight420.34 g/mol
Exact Mass420.11
IUPAC Name4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide
SMILESCCC(C)C(N)(CC)c1cccc2ncc3ccccc3c12.I
InChIInChI=1S/C20H24N2.HI/c1-4-14(3)20(21,5-2)17-11-8-12-18-19(17)16-10-7-6-9-15(16)13-22-18;/h6-14H,4-5,21H2,1-3H3;1H
InChIKeyOXSYIDYQWBSSJO-UHFFFAOYSA-N
XLogP5.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.62
H-Bond Donors ≤ 51
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 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide?
The IUPAC name of 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide (CID 174826272) is 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide.
What is the SMILES notation for 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide?
The canonical SMILES for 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide is CCC(C)C(N)(CC)c1cccc2ncc3ccccc3c12.I.
What is the InChIKey of 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide?
The InChIKey is OXSYIDYQWBSSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.HI/c1-4-14(3)20(21,5-2)17-11-8-12-18-19(17)16-10-7-6-9-15(16)13-22-18;/h6-14H,4-5,21H2,1-3H3;1H.
What are the key properties of 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide?
4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide is sourced from PubChem (CID 174826272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).