N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride

C19H28Cl2N6Pt — CID 91933857

IUPACN-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride
SMILESCl[Pt+].N.N.[Cl-].[H]/N=C(\CC)N(C)CCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H22N4.2ClH.2H3N.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;;;;;/h4-11,20H,3,12-13H2,1-2H3,(H,21,22);2*1H;2*1H3;/q;;;;;+2/p-2/b20-18+;;;;;
InChIKeyIEMHKCXZCGLESC-HAPIHCSOSA-L
MW606.46 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride

N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride (PubChem CID 91933857) has the molecular formula C19H28Cl2N6Pt and a molecular weight of 606.46 g/mol. Its IUPAC name is N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride.

Molecular Properties

Compound NameN-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride
PubChem CID91933857
Molecular FormulaC19H28Cl2N6Pt
Molecular Weight606.46 g/mol
Exact Mass605.14
IUPAC NameN-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride
SMILESCl[Pt+].N.N.[Cl-].[H]/N=C(\CC)N(C)CCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H22N4.2ClH.2H3N.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;;;;;/h4-11,20H,3,12-13H2,1-2H3,(H,21,22);2*1H;2*1H3;/q;;;;;+2/p-2/b20-18+;;;;;
InChIKeyIEMHKCXZCGLESC-HAPIHCSOSA-L
XLogP2.13
TPSA122.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.46
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate
CID 71509746
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
methyl 3-[3-acridin-9-ylpropyl(methyl)amino]-3-iminopropanoate
CID 158541655
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 4-[3-acridin-9-ylpropyl(methyl)amino]-4-iminobutanoate
CID 158541656
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
2-[[2-[2-(acridin-9-ylamino)ethylamino]-2-oxoethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
CID 10207760
N-acridin-9-yl-N'-(cyclopropylmethyl)-N'-methylbutane-1,4-diamine
CID 71471830
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
ethyl 2-[[2-[3-(acridin-9-ylamino)propylamino]-2-oxoethyl]-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetate
CID 11376986

Frequently Asked Questions

What is the IUPAC name of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride?
The IUPAC name of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride (CID 91933857) is N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride.
What is the SMILES notation for N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride?
The canonical SMILES for N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride is Cl[Pt+].N.N.[Cl-].[H]/N=C(\CC)N(C)CCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride?
The InChIKey is IEMHKCXZCGLESC-HAPIHCSOSA-L. The full InChI is InChI=1S/C19H22N4.2ClH.2H3N.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;;;;;/h4-11,20H,3,12-13H2,1-2H3,(H,21,22);2*1H;2*1H3;/q;;;;;+2/p-2/b20-18+;;;;;.
What are the key properties of N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride?
N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride has a molecular weight of 606.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride is sourced from PubChem (CID 91933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).