(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)

C12H26BrN3W — CID 171067757

IUPAC(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)
SMILESC/C=C(Br)\N=C(\C)CCCC.CN(C)[NH-].[CH3-].[W+2]
InChIInChI=1S/C9H16BrN.C2H7N2.CH3.W/c1-4-6-7-8(3)11-9(10)5-2;1-4(2)3;;/h5H,4,6-7H2,1-3H3;3H,1-2H3;1H3;/q;2*-1;+2/b9-5-,11-8-;;;
InChIKeyAPOWQRXRVFCSSB-DXIPSIPPSA-N
MW476.11 g/mol
LogP4.86
Rot. Bonds4

About (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)

(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+) (PubChem CID 171067757) has the molecular formula C12H26BrN3W and a molecular weight of 476.11 g/mol. Its IUPAC name is (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+).

Molecular Properties

Compound Name(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)
PubChem CID171067757
Molecular FormulaC12H26BrN3W
Molecular Weight476.11 g/mol
Exact Mass475.08
IUPAC Name(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)
SMILESC/C=C(Br)\N=C(\C)CCCC.CN(C)[NH-].[CH3-].[W+2]
InChIInChI=1S/C9H16BrN.C2H7N2.CH3.W/c1-4-6-7-8(3)11-9(10)5-2;1-4(2)3;;/h5H,4,6-7H2,1-3H3;3H,1-2H3;1H3;/q;2*-1;+2/b9-5-,11-8-;;;
InChIKeyAPOWQRXRVFCSSB-DXIPSIPPSA-N
XLogP4.86
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.11
LogP ≤ 54.86
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+) with MolForge

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Related Compounds

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CID 153345490
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
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N-ethoxyhexan-2-imine
CID 86028505
(Z)-3-bromooct-2-ene
CID 13181431
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
(E)-3-methyldodec-2-en-4-one
CID 102121544
1-(hexan-2-ylideneamino)ethanamine
CID 123584737
N-tridecan-2-ylidenehydroxylamine
CID 74054313
N-tetradecan-2-ylidenehydroxylamine
CID 140688122

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)?
The IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+) (CID 171067757) is (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+).
What is the SMILES notation for (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)?
The canonical SMILES for (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+) is C/C=C(Br)\N=C(\C)CCCC.CN(C)[NH-].[CH3-].[W+2].
What is the InChIKey of (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)?
The InChIKey is APOWQRXRVFCSSB-DXIPSIPPSA-N. The full InChI is InChI=1S/C9H16BrN.C2H7N2.CH3.W/c1-4-6-7-8(3)11-9(10)5-2;1-4(2)3;;/h5H,4,6-7H2,1-3H3;3H,1-2H3;1H3;/q;2*-1;+2/b9-5-,11-8-;;;.
What are the key properties of (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)?
(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+) has a molecular weight of 476.11 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+) is sourced from PubChem (CID 171067757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).