bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide

C20H32Cl4Mn2N10O2-2 — CID 3461415

IUPACbis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide
SMILESCC(N=O)=C(C)NN=C(N)C1=CC=CC[N-]1.CC(N=O)=C(C)NN=C(N)C1CCCC[N-]1.Cl[Mn]Cl.Cl[Mn]Cl
InChIInChI=1S/C10H18N5O.C10H14N5O.4ClH.2Mn/c2*1-7(8(2)15-16)13-14-10(11)9-5-3-4-6-12-9;;;;;;/h9,13H,3-6H2,1-2H3,(H2,11,14);3-5,13H,6H2,1-2H3,(H2,11,14);4*1H;;/q2*-1;;;;;2*+2/p-4
InChIKeyNMONYJIBOQTXNG-UHFFFAOYSA-J
MW696.23 g/mol
LogP6.24
Rot. Bonds8

About bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide

bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide (PubChem CID 3461415) has the molecular formula C20H32Cl4Mn2N10O2-2 and a molecular weight of 696.23 g/mol. Its IUPAC name is bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide.

Molecular Properties

Compound Namebis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide
PubChem CID3461415
Molecular FormulaC20H32Cl4Mn2N10O2-2
Molecular Weight696.23 g/mol
Exact Mass694.02
IUPAC Namebis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide
SMILESCC(N=O)=C(C)NN=C(N)C1=CC=CC[N-]1.CC(N=O)=C(C)NN=C(N)C1CCCC[N-]1.Cl[Mn]Cl.Cl[Mn]Cl
InChIInChI=1S/C10H18N5O.C10H14N5O.4ClH.2Mn/c2*1-7(8(2)15-16)13-14-10(11)9-5-3-4-6-12-9;;;;;;/h9,13H,3-6H2,1-2H3,(H2,11,14);3-5,13H,6H2,1-2H3,(H2,11,14);4*1H;;/q2*-1;;;;;2*+2/p-4
InChIKeyNMONYJIBOQTXNG-UHFFFAOYSA-J
XLogP6.24
TPSA187.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.23
LogP ≤ 56.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide?
The IUPAC name of bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide (CID 3461415) is bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide.
What is the SMILES notation for bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide?
The canonical SMILES for bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide is CC(N=O)=C(C)NN=C(N)C1=CC=CC[N-]1.CC(N=O)=C(C)NN=C(N)C1CCCC[N-]1.Cl[Mn]Cl.Cl[Mn]Cl.
What is the InChIKey of bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide?
The InChIKey is NMONYJIBOQTXNG-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H18N5O.C10H14N5O.4ClH.2Mn/c2*1-7(8(2)15-16)13-14-10(11)9-5-3-4-6-12-9;;;;;;/h9,13H,3-6H2,1-2H3,(H2,11,14);3-5,13H,6H2,1-2H3,(H2,11,14);4*1H;;/q2*-1;;;;;2*+2/p-4.
What are the key properties of bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide?
bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide has a molecular weight of 696.23 g/mol, XLogP of 6.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromanganese);N'-(3-nitrosobut-2-en-2-ylamino)piperidin-1-ide-2-carboximidamide;N'-(3-nitrosobut-2-en-2-ylamino)-2H-pyridin-1-ide-6-carboximidamide is sourced from PubChem (CID 3461415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).