N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine

C18H19N3O2 — CID 102268628

IUPACN,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
SMILESCN(C)CCCc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C18H19N3O2/c1-20(2)12-6-8-14-13-7-3-4-9-15(13)19-16-10-5-11-17(18(14)16)21(22)23/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyBXDXMTKCRUSTIV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.79
Rot. Bonds5

About N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine

N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine (PubChem CID 102268628) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
PubChem CID102268628
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
SMILESCN(C)CCCc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C18H19N3O2/c1-20(2)12-6-8-14-13-7-3-4-9-15(13)19-16-10-5-11-17(18(14)16)21(22)23/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyBXDXMTKCRUSTIV-UHFFFAOYSA-N
XLogP3.79
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
1-N-(1-nitroacridin-9-yl)-1-N'-propan-2-ylethane-1,1-diamine
CID 21332765
3-N,3-N-dimethyl-1-N-(1-nitroacridin-9-yl)pentane-1,3-diamine
CID 10089369
4-[(1-nitroacridin-9-yl)amino]butanoic acid
CID 14580025
14-[2-(dimethylamino)ethyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one;14-[2-(dimethylamino)ethyl]-10-nitro-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one
CID 160893782
N,N-dimethyl-3-(10-nitro-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-yl)propan-1-amine
CID 174930747
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
4-nitrophenanthrene
CID 139058403
3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865387
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707
1-nitro-N-(2-pyridin-2-ylethyl)acridin-9-amine;dihydrochloride
CID 21142984

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine (CID 102268628) is N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine is CN(C)CCCc1c2ccccc2nc2cccc([N+](=O)[O-])c12.
What is the InChIKey of N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine?
The InChIKey is BXDXMTKCRUSTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20(2)12-6-8-14-13-7-3-4-9-15(13)19-16-10-5-11-17(18(14)16)21(22)23/h3-5,7,9-11H,6,8,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine?
N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine is sourced from PubChem (CID 102268628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).