dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide

C15H21CuLi2N2O — CID 139263470

IUPACdilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
SMILESCC(C)N(C(=O)c1[c-]cccc1)C(C)C.[C-]#N.[CH3-].[Cu+].[Li+].[Li+]
InChIInChI=1S/C13H18NO.CN.CH3.Cu.2Li/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12;1-2;;;;/h5-8,10-11H,1-4H3;;1H3;;;/q3*-1;3*+1
InChIKeyPBJGKHXKMPXWQV-UHFFFAOYSA-N
MW322.77 g/mol
LogP-2.70
Rot. Bonds3

About dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide

dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide (PubChem CID 139263470) has the molecular formula C15H21CuLi2N2O and a molecular weight of 322.77 g/mol. Its IUPAC name is dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide.

Molecular Properties

Compound Namedilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
PubChem CID139263470
Molecular FormulaC15H21CuLi2N2O
Molecular Weight322.77 g/mol
Exact Mass322.13
IUPAC Namedilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
SMILESCC(C)N(C(=O)c1[c-]cccc1)C(C)C.[C-]#N.[CH3-].[Cu+].[Li+].[Li+]
InChIInChI=1S/C13H18NO.CN.CH3.Cu.2Li/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12;1-2;;;;/h5-8,10-11H,1-4H3;;1H3;;;/q3*-1;3*+1
InChIKeyPBJGKHXKMPXWQV-UHFFFAOYSA-N
XLogP-2.70
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 5-2.70
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

lithium N,N-diethylbenzamide
CID 12872035
copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide
CID 134858453
dilithium;benzene;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
CID 139263471
(5E)-5-(2-methylpropylidene)-1,2-di(propan-2-yl)-2H-pyridin-6-one
CID 57579844
5-[(Dimethylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 57640677
6-Ethyl-3-methyl-1-propan-2-ylpyridin-2-one
CID 89060120
(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one
CID 89063961
(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
CID 89194291
(Z,2E)-2-ethylidene-1-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pent-3-en-1-one
CID 89633268
N-methyl-2-methylidene-N-propan-2-ylpent-3-enamide
CID 91530422
2-Ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one
CID 123354087
N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide
CID 123432083

Frequently Asked Questions

What is the IUPAC name of dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
The IUPAC name of dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide (CID 139263470) is dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide.
What is the SMILES notation for dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
The canonical SMILES for dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide is CC(C)N(C(=O)c1[c-]cccc1)C(C)C.[C-]#N.[CH3-].[Cu+].[Li+].[Li+].
What is the InChIKey of dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
The InChIKey is PBJGKHXKMPXWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO.CN.CH3.Cu.2Li/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12;1-2;;;;/h5-8,10-11H,1-4H3;;1H3;;;/q3*-1;3*+1.
What are the key properties of dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide?
dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide has a molecular weight of 322.77 g/mol, XLogP of -2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide is sourced from PubChem (CID 139263470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).