1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine

C18H20N4O2 — CID 21332765

IUPAC1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine
SMILESCC(C)NC(C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C18H20N4O2/c1-11(2)19-12(3)20-18-13-7-4-5-8-14(13)21-15-9-6-10-16(17(15)18)22(23)24/h4-12,19H,1-3H3,(H,20,21)
InChIKeyIAYODSCOWTVMAD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.05
Rot. Bonds5

About 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine

1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine (PubChem CID 21332765) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine
PubChem CID21332765
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine
SMILESCC(C)NC(C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C18H20N4O2/c1-11(2)19-12(3)20-18-13-7-4-5-8-14(13)21-15-9-6-10-16(17(15)18)22(23)24/h4-12,19H,1-3H3,(H,20,21)
InChIKeyIAYODSCOWTVMAD-UHFFFAOYSA-N
XLogP4.05
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-nitroacridin-9-yl)amino]butan-1-ol
CID 88722937
1-N-ethyl-1-N'-(1-nitroacridin-9-yl)propane-1,1-diamine;dihydrochloride
CID 21332770
3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine
CID 10089369
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
4-[(1-nitroacridin-9-yl)amino]butanoic acid
CID 14580025
1-nitro-N-(2-pyridin-2-ylethyl)acridin-9-amine;dihydrochloride
CID 21142984
N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
CID 102268628
1,5,9-trinitrotriphenylene
CID 86227277
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine?
The IUPAC name of 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine (CID 21332765) is 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine.
What is the SMILES notation for 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine?
The canonical SMILES for 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine is CC(C)NC(C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12.
What is the InChIKey of 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine?
The InChIKey is IAYODSCOWTVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)19-12(3)20-18-13-7-4-5-8-14(13)21-15-9-6-10-16(17(15)18)22(23)24/h4-12,19H,1-3H3,(H,20,21).
What are the key properties of 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine?
1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine has a molecular weight of 324.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine is sourced from PubChem (CID 21332765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).