N,N-dimethyl-1,10-phenanthrolin-5-amine

C14H13N3 — CID 15208316

IUPACN,N-dimethyl-1,10-phenanthrolin-5-amine
SMILESCN(C)c1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H13N3/c1-17(2)12-9-10-5-3-7-15-13(10)14-11(12)6-4-8-16-14/h3-9H,1-2H3
InChIKeyCZUNWFJPQBEKEH-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.85
Rot. Bonds1

About N,N-dimethyl-1,10-phenanthrolin-5-amine

N,N-dimethyl-1,10-phenanthrolin-5-amine (PubChem CID 15208316) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N,N-dimethyl-1,10-phenanthrolin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,10-phenanthrolin-5-amine
PubChem CID15208316
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN,N-dimethyl-1,10-phenanthrolin-5-amine
SMILESCN(C)c1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H13N3/c1-17(2)12-9-10-5-3-7-15-13(10)14-11(12)6-4-8-16-14/h3-9H,1-2H3
InChIKeyCZUNWFJPQBEKEH-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline
CID 1318
4,7-Diphenyl-1,10-phenanthroline
CID 72812
5-Methylquinoxaline
CID 61670
2,9-Dimethyl-1,10-phenanthroline
CID 65237
1,7-Phenanthroline
CID 67473
1,10-Phenanthroline hydrate
CID 21226
5-Nitro-1,10-phenanthroline
CID 72790
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
4,7-Phenanthroline
CID 67472

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,10-phenanthrolin-5-amine?
The IUPAC name of N,N-dimethyl-1,10-phenanthrolin-5-amine (CID 15208316) is N,N-dimethyl-1,10-phenanthrolin-5-amine.
What is the SMILES notation for N,N-dimethyl-1,10-phenanthrolin-5-amine?
The canonical SMILES for N,N-dimethyl-1,10-phenanthrolin-5-amine is CN(C)c1cc2cccnc2c2ncccc12.
What is the InChIKey of N,N-dimethyl-1,10-phenanthrolin-5-amine?
The InChIKey is CZUNWFJPQBEKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17(2)12-9-10-5-3-7-15-13(10)14-11(12)6-4-8-16-14/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-1,10-phenanthrolin-5-amine?
N,N-dimethyl-1,10-phenanthrolin-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,10-phenanthrolin-5-amine is sourced from PubChem (CID 15208316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).