3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine

C20H24N4O2 — CID 10089369

IUPAC3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine
SMILESCCC(CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)N(C)C
InChIInChI=1S/C20H24N4O2/c1-4-14(23(2)3)12-13-21-20-15-8-5-6-9-16(15)22-17-10-7-11-18(19(17)20)24(25)26/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyCYYQNHAWHJHKTG-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.44
Rot. Bonds7

About 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine

3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine (PubChem CID 10089369) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine
PubChem CID10089369
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine
SMILESCCC(CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)N(C)C
InChIInChI=1S/C20H24N4O2/c1-4-14(23(2)3)12-13-21-20-15-8-5-6-9-16(15)22-17-10-7-11-18(19(17)20)24(25)26/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyCYYQNHAWHJHKTG-UHFFFAOYSA-N
XLogP4.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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'}

Analyze 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(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
1-nitro-N-(2-pyridin-2-ylethyl)acridin-9-amine;dihydrochloride
CID 21142984
1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine
CID 21332765
N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
CID 102268628
3-[(4-methyl-1-nitroacridin-9-yl)amino]propyl propanoate;hydrochloride
CID 18505074
N-ethyl-5-nitroquinolin-2-amine
CID 59551851
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996
1-(2-methyl-6-nitroanilino)pentan-3-ol
CID 115702028
4-nitrophenanthrene
CID 139058403

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine (CID 10089369) is 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine is CCC(CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)N(C)C.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine?
The InChIKey is CYYQNHAWHJHKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-14(23(2)3)12-13-21-20-15-8-5-6-9-16(15)22-17-10-7-11-18(19(17)20)24(25)26/h5-11,14H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine?
3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine has a molecular weight of 352.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine is sourced from PubChem (CID 10089369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).