carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium

C19H22N3Pr4-5 — CID 178082439

IUPACcarbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium
SMILES[CH3-].[CH3-].[H]/N=C/N(/C=C\N(C)c1[c-]ccc[c-]1)c1[c-]cccc1C.[Pr].[Pr].[Pr].[Pr]
InChIInChI=1S/C17H16N3.2CH3.4Pr/c1-15-8-6-7-11-17(15)20(14-18)13-12-19(2)16-9-4-3-5-10-16;;;;;;/h3-8,12-14,18H,1-2H3;2*1H3;;;;/q-3;2*-1;;;;/b13-12-,18-14+;;;;;;
InChIKeyOKLKHUHQWRQXBX-XSUZTSBVSA-N
MW856.04 g/mol
LogP4.32
Rot. Bonds5

About carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium

carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium (PubChem CID 178082439) has the molecular formula C19H22N3Pr4-5 and a molecular weight of 856.04 g/mol. Its IUPAC name is carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium.

Molecular Properties

Compound Namecarbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium
PubChem CID178082439
Molecular FormulaC19H22N3Pr4-5
Molecular Weight856.04 g/mol
Exact Mass855.81
IUPAC Namecarbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium
SMILES[CH3-].[CH3-].[H]/N=C/N(/C=C\N(C)c1[c-]ccc[c-]1)c1[c-]cccc1C.[Pr].[Pr].[Pr].[Pr]
InChIInChI=1S/C17H16N3.2CH3.4Pr/c1-15-8-6-7-11-17(15)20(14-18)13-12-19(2)16-9-4-3-5-10-16;;;;;;/h3-8,12-14,18H,1-2H3;2*1H3;;;;/q-3;2*-1;;;;/b13-12-,18-14+;;;;;;
InChIKeyOKLKHUHQWRQXBX-XSUZTSBVSA-N
XLogP4.32
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500856.04
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide;ethane
CID 141995687
Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
bis[(2Z)-2-propylidene-1-pyridinyl]methanimine
CID 143497235
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578306
(4-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392709
N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578307

Frequently Asked Questions

What is the IUPAC name of carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium?
The IUPAC name of carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium (CID 178082439) is carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium.
What is the SMILES notation for carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium?
The canonical SMILES for carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium is [CH3-].[CH3-].[H]/N=C/N(/C=C\N(C)c1[c-]ccc[c-]1)c1[c-]cccc1C.[Pr].[Pr].[Pr].[Pr].
What is the InChIKey of carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium?
The InChIKey is OKLKHUHQWRQXBX-XSUZTSBVSA-N. The full InChI is InChI=1S/C17H16N3.2CH3.4Pr/c1-15-8-6-7-11-17(15)20(14-18)13-12-19(2)16-9-4-3-5-10-16;;;;;;/h3-8,12-14,18H,1-2H3;2*1H3;;;;/q-3;2*-1;;;;/b13-12-,18-14+;;;;;;.
What are the key properties of carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium?
carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium has a molecular weight of 856.04 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium is sourced from PubChem (CID 178082439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).