carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium

C14H30N2VWY-6 — CID 91866374

IUPACcarbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium
SMILESC=C1CCN([CH2-])CC(=C)N1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[W].[Y]
InChIInChI=1S/C9H15N2.5CH3.V.W.Y/c1-8-5-6-10(3)7-9(2)11(8)4;;;;;;;;/h1-3,5-7H2,4H3;5*1H3;;;/q6*-1;;;
InChIKeyDISGFPZLCAVMHQ-UHFFFAOYSA-N
MW550.10 g/mol
LogP3.69
Rot. Bonds

About carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium

carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium (PubChem CID 91866374) has the molecular formula C14H30N2VWY-6 and a molecular weight of 550.10 g/mol. Its IUPAC name is carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium.

Molecular Properties

Compound Namecarbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium
PubChem CID91866374
Molecular FormulaC14H30N2VWY-6
Molecular Weight550.10 g/mol
Exact Mass550.04
IUPAC Namecarbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium
SMILESC=C1CCN([CH2-])CC(=C)N1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[W].[Y]
InChIInChI=1S/C9H15N2.5CH3.V.W.Y/c1-8-5-6-10(3)7-9(2)11(8)4;;;;;;;;/h1-3,5-7H2,4H3;5*1H3;;;/q6*-1;;;
InChIKeyDISGFPZLCAVMHQ-UHFFFAOYSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.10
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-prop-1-en-2-yl-1,4-diazepane
CID 21366496
carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium
CID 58531717
Carbanide;1-ethyl-4-methyl-5-methylidene-1,4-diazepane;tungsten;vanadium
CID 91866371
Carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium
CID 91866372
1,1-Dimethyl-4-prop-1-en-2-yl-1,4-diazepan-1-ium
CID 123557890
N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine
CID 134426653
1-But-1-en-2-yl-4-methyl-1,4-diazepane;ethane
CID 142053759
1,4-Dimethyl-2,7-dimethylidene-1,4-diazepane
CID 58531718
1-Ethyl-4-methyl-5-methylidene-1,4-diazepane
CID 60056679
4-Ethyl-1-methyl-2-methylidene-1,4-diazepane
CID 60056681
1-But-1-en-2-yl-4-methyl-1,4-diazepane
CID 142053760

Frequently Asked Questions

What is the IUPAC name of carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium?
The IUPAC name of carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium (CID 91866374) is carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium.
What is the SMILES notation for carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium?
The canonical SMILES for carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium is C=C1CCN([CH2-])CC(=C)N1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[W].[Y].
What is the InChIKey of carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium?
The InChIKey is DISGFPZLCAVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2.5CH3.V.W.Y/c1-8-5-6-10(3)7-9(2)11(8)4;;;;;;;;/h1-3,5-7H2,4H3;5*1H3;;;/q6*-1;;;.
What are the key properties of carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium?
carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium has a molecular weight of 550.10 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium is sourced from PubChem (CID 91866374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).