carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium

C12H26N2VW-4 — CID 91866372

IUPACcarbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium
SMILESC=C1CN(C[CH2-])CCCN1C.[CH3-].[CH3-].[CH3-].[V].[W]
InChIInChI=1S/C9H17N2.3CH3.V.W/c1-4-11-7-5-6-10(3)9(2)8-11;;;;;/h1-2,4-8H2,3H3;3*1H3;;/q4*-1;;
InChIKeyLRSLXQZCKJLVBJ-UHFFFAOYSA-N
MW433.14 g/mol
LogP2.32
Rot. Bonds1

About carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium

carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium (PubChem CID 91866372) has the molecular formula C12H26N2VW-4 and a molecular weight of 433.14 g/mol. Its IUPAC name is carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium.

Molecular Properties

Compound Namecarbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium
PubChem CID91866372
Molecular FormulaC12H26N2VW-4
Molecular Weight433.14 g/mol
Exact Mass433.11
IUPAC Namecarbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium
SMILESC=C1CN(C[CH2-])CCCN1C.[CH3-].[CH3-].[CH3-].[V].[W]
InChIInChI=1S/C9H17N2.3CH3.V.W/c1-4-11-7-5-6-10(3)9(2)8-11;;;;;/h1-2,4-8H2,3H3;3*1H3;;/q4*-1;;
InChIKeyLRSLXQZCKJLVBJ-UHFFFAOYSA-N
XLogP2.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.14
LogP ≤ 52.32
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-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium
CID 91866374
1-Tert-butyl-4-prop-1-en-2-yl-1,4-diazepane
CID 117684773
1,1-Dimethyl-4-prop-1-en-2-yl-1,4-diazepan-1-ium
CID 123557890
(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine
CID 130436838
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-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane
CID 176686878

Frequently Asked Questions

What is the IUPAC name of carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium?
The IUPAC name of carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium (CID 91866372) is carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium.
What is the SMILES notation for carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium?
The canonical SMILES for carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium is C=C1CN(C[CH2-])CCCN1C.[CH3-].[CH3-].[CH3-].[V].[W].
What is the InChIKey of carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium?
The InChIKey is LRSLXQZCKJLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.3CH3.V.W/c1-4-11-7-5-6-10(3)9(2)8-11;;;;;/h1-2,4-8H2,3H3;3*1H3;;/q4*-1;;.
What are the key properties of carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium?
carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium has a molecular weight of 433.14 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium is sourced from PubChem (CID 91866372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).