3-methyl-N-propyl-1,7-phenanthrolin-2-amine

C16H17N3 — CID 63231772

IUPAC3-methyl-N-propyl-1,7-phenanthrolin-2-amine
SMILESCCCNc1nc2c(ccc3ncccc32)cc1C
InChIInChI=1S/C16H17N3/c1-3-8-18-16-11(2)10-12-6-7-14-13(15(12)19-16)5-4-9-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyILALNVIWVBAVPZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.91
Rot. Bonds3

About 3-methyl-N-propyl-1,7-phenanthrolin-2-amine

3-methyl-N-propyl-1,7-phenanthrolin-2-amine (PubChem CID 63231772) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-N-propyl-1,7-phenanthrolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1,7-phenanthrolin-2-amine
PubChem CID63231772
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-methyl-N-propyl-1,7-phenanthrolin-2-amine
SMILESCCCNc1nc2c(ccc3ncccc32)cc1C
InChIInChI=1S/C16H17N3/c1-3-8-18-16-11(2)10-12-6-7-14-13(15(12)19-16)5-4-9-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyILALNVIWVBAVPZ-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1,7-phenanthrolin-2-amine?
The IUPAC name of 3-methyl-N-propyl-1,7-phenanthrolin-2-amine (CID 63231772) is 3-methyl-N-propyl-1,7-phenanthrolin-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1,7-phenanthrolin-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1,7-phenanthrolin-2-amine is CCCNc1nc2c(ccc3ncccc32)cc1C.
What is the InChIKey of 3-methyl-N-propyl-1,7-phenanthrolin-2-amine?
The InChIKey is ILALNVIWVBAVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-8-18-16-11(2)10-12-6-7-14-13(15(12)19-16)5-4-9-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-propyl-1,7-phenanthrolin-2-amine?
3-methyl-N-propyl-1,7-phenanthrolin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1,7-phenanthrolin-2-amine is sourced from PubChem (CID 63231772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).