3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine

C18H21N3O — CID 6712224

IUPAC3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN=c1c2ccccc2n(O)c2ccccc12
InChIInChI=1S/C18H21N3O/c1-20(2)13-7-12-19-18-14-8-3-5-10-16(14)21(22)17-11-6-4-9-15(17)18/h3-6,8-11,22H,7,12-13H2,1-2H3
InChIKeySUOOYZBWNLZNGX-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.88
Rot. Bonds4

About 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine

3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine (PubChem CID 6712224) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
PubChem CID6712224
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN=c1c2ccccc2n(O)c2ccccc12
InChIInChI=1S/C18H21N3O/c1-20(2)13-7-12-19-18-14-8-3-5-10-16(14)21(22)17-11-6-4-9-15(17)18/h3-6,8-11,22H,7,12-13H2,1-2H3
InChIKeySUOOYZBWNLZNGX-UHFFFAOYSA-N
XLogP2.88
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine (CID 6712224) is 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine is CN(C)CCCN=c1c2ccccc2n(O)c2ccccc12.
What is the InChIKey of 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
The InChIKey is SUOOYZBWNLZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)13-7-12-19-18-14-8-3-5-10-16(14)21(22)17-11-6-4-9-15(17)18/h3-6,8-11,22H,7,12-13H2,1-2H3.
What are the key properties of 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 6712224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).