N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate

C22H32ClN8O7Pt- — CID 71509746

IUPACN-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate
SMILESNCC(O)CN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[H]/N=C(\CC)N(C)CCNc1c2ccccc2nc2ccccc12.[Pt+2]
InChIInChI=1S/C19H22N4.C3H10N2O.ClH.2NO3.Pt/c1-3-18(20)23(2)13-12-21-19-14-8-4-6-10-16(14)22-17-11-7-5-9-15(17)19;4-1-3(6)2-5;;2*2-1(3)4;/h4-11,20H,3,12-13H2,1-2H3,(H,21,22);3,6H,1-2,4-5H2;1H;;;/q;;;2*-1;+2/p-1/b20-18+;;;;;
InChIKeyDYZZYKIVJNXDFE-HAPIHCSOSA-M
MW751.08 g/mol
LogP-1.09
Rot. Bonds7

About N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate

N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate (PubChem CID 71509746) has the molecular formula C22H32ClN8O7Pt- and a molecular weight of 751.08 g/mol. Its IUPAC name is N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate.

Molecular Properties

Compound NameN-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate
PubChem CID71509746
Molecular FormulaC22H32ClN8O7Pt-
Molecular Weight751.08 g/mol
Exact Mass750.17
IUPAC NameN-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate
SMILESNCC(O)CN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[H]/N=C(\CC)N(C)CCNc1c2ccccc2nc2ccccc12.[Pt+2]
InChIInChI=1S/C19H22N4.C3H10N2O.ClH.2NO3.Pt/c1-3-18(20)23(2)13-12-21-19-14-8-4-6-10-16(14)22-17-11-7-5-9-15(17)19;4-1-3(6)2-5;;2*2-1(3)4;/h4-11,20H,3,12-13H2,1-2H3,(H,21,22);3,6H,1-2,4-5H2;1H;;;/q;;;2*-1;+2/p-1/b20-18+;;;;;
InChIKeyDYZZYKIVJNXDFE-HAPIHCSOSA-M
XLogP-1.09
TPSA256.68 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.08
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride
CID 91933857
2-[2-(acridin-9-ylamino)ethyl-propanimidoylamino]acetic acid
CID 71509906
N-(2-acridin-9-ylethyl)-N-methylpropanimidamide
CID 102168415
N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide
CID 140647032
N-acridin-9-yl-N'-[4-[4-(acridin-9-ylamino)butyl-(3-aminopropyl)amino]butyl]-N'-(3-aminopropyl)butane-1,4-diamine;dihydrochloride
CID 45261740
methyl 3-[3-acridin-9-ylpropyl(methyl)amino]-3-iminopropanoate
CID 158541655
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
methyl 4-[3-acridin-9-ylpropyl(methyl)amino]-4-iminobutanoate
CID 158541656
9-[2-[methyl(methylcarbamothioyl)amino]ethylamino]-N-[2-(phenylcarbamoylamino)ethyl]acridine-4-carboxamide;nitric acid
CID 11714094
ethyl 2-[[2-[3-(acridin-9-ylamino)propylamino]-2-oxoethyl]-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetate
CID 11376986
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606

Frequently Asked Questions

What is the IUPAC name of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate?
The IUPAC name of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate (CID 71509746) is N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate.
What is the SMILES notation for N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate?
The canonical SMILES for N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate is NCC(O)CN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[H]/N=C(\CC)N(C)CCNc1c2ccccc2nc2ccccc12.[Pt+2].
What is the InChIKey of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate?
The InChIKey is DYZZYKIVJNXDFE-HAPIHCSOSA-M. The full InChI is InChI=1S/C19H22N4.C3H10N2O.ClH.2NO3.Pt/c1-3-18(20)23(2)13-12-21-19-14-8-4-6-10-16(14)22-17-11-7-5-9-15(17)19;4-1-3(6)2-5;;2*2-1(3)4;/h4-11,20H,3,12-13H2,1-2H3,(H,21,22);3,6H,1-2,4-5H2;1H;;;/q;;;2*-1;+2/p-1/b20-18+;;;;;.
What are the key properties of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate?
N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate has a molecular weight of 751.08 g/mol, XLogP of -1.09, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate is sourced from PubChem (CID 71509746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).