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

C14H28N3WY-5 — CID 58531717

IUPACcarbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium
SMILESC=C1CCN([CH2-])CC(=C)N1C.[CH2-]N([CH2-])C.[CH3-].[CH3-].[W].[Y]
InChIInChI=1S/C9H15N2.C3H7N.2CH3.W.Y/c1-8-5-6-10(3)7-9(2)11(8)4;1-4(2)3;;;;/h1-3,5-7H2,4H3;1-2H2,3H3;2*1H3;;/q-1;-2;2*-1;;
InChIKeyINNGCUCVTLHIEU-UHFFFAOYSA-N
MW511.15 g/mol
LogP2.84
Rot. Bonds

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

carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium (PubChem CID 58531717) has the molecular formula C14H28N3WY-5 and a molecular weight of 511.15 g/mol. Its IUPAC name is carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium.

Molecular Properties

Compound Namecarbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium
PubChem CID58531717
Molecular FormulaC14H28N3WY-5
Molecular Weight511.15 g/mol
Exact Mass511.09
IUPAC Namecarbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium
SMILESC=C1CCN([CH2-])CC(=C)N1C.[CH2-]N([CH2-])C.[CH3-].[CH3-].[W].[Y]
InChIInChI=1S/C9H15N2.C3H7N.2CH3.W.Y/c1-8-5-6-10(3)7-9(2)11(8)4;1-4(2)3;;;;/h1-3,5-7H2,4H3;1-2H2,3H3;2*1H3;;/q-1;-2;2*-1;;
InChIKeyINNGCUCVTLHIEU-UHFFFAOYSA-N
XLogP2.84
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;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
Carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium
CID 91866374
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-Butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane
CID 153397355
1-Propan-2-yl-4-prop-1-en-2-yl-1,4-diazepane
CID 160085230
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

Frequently Asked Questions

What is the IUPAC name of carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium?
The IUPAC name of carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium (CID 58531717) is carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium.
What is the SMILES notation for carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium?
The canonical SMILES for carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium is C=C1CCN([CH2-])CC(=C)N1C.[CH2-]N([CH2-])C.[CH3-].[CH3-].[W].[Y].
What is the InChIKey of carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium?
The InChIKey is INNGCUCVTLHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2.C3H7N.2CH3.W.Y/c1-8-5-6-10(3)7-9(2)11(8)4;1-4(2)3;;;;/h1-3,5-7H2,4H3;1-2H2,3H3;2*1H3;;/q-1;-2;2*-1;;.
What are the key properties of carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium?
carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium has a molecular weight of 511.15 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium is sourced from PubChem (CID 58531717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).