acridin-1-amine

C13H10N2 — CID 11352

IUPACacridin-1-amine
SMILESNc1cccc2nc3ccccc3cc12
InChIInChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2
InChIKeyLOMMDWBTANPFEJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.97
Rot. Bonds

About acridin-1-amine

acridin-1-amine (PubChem CID 11352) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is acridin-1-amine.

Molecular Properties

Compound Nameacridin-1-amine
PubChem CID11352
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Nameacridin-1-amine
SMILESNc1cccc2nc3ccccc3cc12
InChIInChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2
InChIKeyLOMMDWBTANPFEJ-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Proflavine
CID 7099
Acridine
CID 9215
Ethidium Bromide
CID 14710
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
3,6-Diamino-10-methylacridinium Chloride
CID 6842

Frequently Asked Questions

What is the IUPAC name of acridin-1-amine?
The IUPAC name of acridin-1-amine (CID 11352) is acridin-1-amine.
What is the SMILES notation for acridin-1-amine?
The canonical SMILES for acridin-1-amine is Nc1cccc2nc3ccccc3cc12.
What is the InChIKey of acridin-1-amine?
The InChIKey is LOMMDWBTANPFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2.
What are the key properties of acridin-1-amine?
acridin-1-amine has a molecular weight of 194.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-1-amine is sourced from PubChem (CID 11352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).